Summary
| Herb Id: TCMCG058 | Herb name: Rhododendron simsii |
| Function: To clear heat and resolve toxin, stanch bleeding. | Indication: Swollen welling abscess and clove sores, bleeding due to external injury, urticaria. |
Ingredient
| Ingredient_name: 19,24-dihydroxyurs-12-en-3-one-28-oic acid | Alias: 19,24-dihydroxyurs-12-en-3-one-28-oicacid |
| Ingredient_formula: C30H46O5 | Ingredient_Smile: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)CO)C)C)C2C1(C)O)C)C(=O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 2α,19α-dihydroxyursolicacid | Alias: 2alpha,19alpha-dihydroxyursolic acid |
| Ingredient_formula: C30H48O5 | Ingredient_Smile: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 5-methylmyricetin | Alias: NA |
| Ingredient_formula: C16H12O8 | Ingredient_Smile: COC1=C2C(=CC(=C1)O)OC(=C(C2=O)O)C3=CC(=C(C(=C3)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 2.1.1.88 [VIEW IN KEGG] 2.1.1.267 [VIEW IN KEGG] |
| Ingredient_name: 7-o-bata-d-apiofuranosyl-(1-6)-beta-d-glucopyranosylmatteucinol | Alias: NA |
| Ingredient_formula: C29H36O14 | Ingredient_Smile: CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)C)OC(CC2=O)C5=CC=C(C=C5)OC)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 7-o-β-d-apiofuranosyl-(1鈫?)-β-d-glucopyra-nosylmatteucinol | Alias: NA |
| Ingredient_formula: C29H36O14 | Ingredient_Smile: CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)C)OC(CC2=O)C5=CC=C(C=C5)OC)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: andromedotoxin | Alias: ACon0_000384; 135912-EP2277880A1; MEGxp0_001761; Acetylandromedol; (3beta,6beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate; G-I; NP-010017; NCGC00168796-02_C22H36O7_Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate, (3beta,6beta,14R,16alpha)-; GRAYANOTOXIN I; ZINC3978484; NCGC00168796-01; Grayanotoxane-3,5,6,10,14,16-hexol 14-acetate; 4720/9/6; SCHEMBL3229044; GTX-I; 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol-, dodecahydro-1,1,4,8-tetramethyl-, 12-acetate, (2S,3aS,4aR,7R,8R,9aS,11R,11aR,12R)-; HSDB 3463; 135912-EP2292610A1; Rhodotoxine; Rhodotoxin; acetylandromedol; Asebotoxin; W4E6HC3T2B; BRN 2065643; Perhydro-2beta,4alpha,8alpha,11beta,11abeta-pentahydroxy-1,1,4,8-tetramethyl-7,9a-methano-9aalphaH-cyclopenta(b)heptalen-12beta-yl acetat; Andromedotoxin; UNII-W4E6HC3T2B; CHEMBL3085397; Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate, (3beta,6beta,14R)- (9CI); ACon1_000099; AKOS027326735; CHEBI:5542; AK322338; Perhydro-2beta,4alpha,8alpha,11beta,11abeta-pentahydroxy-1,1,4,8-tetramethyl-7,9a-methano-9aalphaH-cyclopenta(b)heptalen-12beta-yl acetate; 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-acetate (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-; grayanotoxin I; NSC 26711; (14R)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate |
| Ingredient_formula: C22H36O7 | Ingredient_Smile: CC(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)CC(C4(C)C)O)O)O)CC2(C)O |
| Ingredient_weight: 412.5 g/mol | OB_score: NA |
| PubChem_id: 9548612 | EC: - |
| Ingredient_name: chrysanthemin | Alias: cyanidin-3-glucoside; Chrysanthemin; LMPK12010110; cyanidin 3-glucoside; Cyanidin 3-O-glucoside |
| Ingredient_formula: C28H58O | Ingredient_Smile: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O |
| Ingredient_weight: 410.76 | OB_score: 1.788656726 |
| PubChem_id: 44256715 | EC: - |
| Ingredient_name: chrysanthemol | Alias: chrysanthemol ; ZINC15208543; MolPort-044-723-367; (+)-Chrysanthemol[terpene] |
| Ingredient_formula: C10H18O | Ingredient_Smile: CC(=CC1C(C1(C)C)CO)C |
| Ingredient_weight: 154.25 g/mol | OB_score: NA |
| PubChem_id: 110685 | EC: 1.1.1.207 [VIEW IN KEGG] 1.1.1.208 [VIEW IN KEGG] 1.3.1.81 [VIEW IN KEGG] 1.14.13.105 [VIEW IN KEGG] 4.2.3.11 [VIEW IN KEGG] 1.1.1.183 [VIEW IN KEGG] 1.1.1.347 [VIEW IN KEGG] 1.14.14.83 [VIEW IN KEGG] 3.1.7.3 [VIEW IN KEGG] 3.1.7.11 [VIEW IN KEGG] 5.4.4.4 [VIEW IN KEGG] 5.4.4.8 [VIEW IN KEGG] 1.1.1.198 [VIEW IN KEGG] 2.3.1.69 [VIEW IN KEGG] 1.1.1.227 [VIEW IN KEGG] 1.1.1.322 [VIEW IN KEGG] 4.2.3.10 [VIEW IN KEGG] 1.14.14.84 [VIEW IN KEGG] 1.14.14.56 [VIEW IN KEGG] 1.14.14.133 [VIEW IN KEGG] 4.2.3.108 [VIEW IN KEGG] 3.1.7.13 [VIEW IN KEGG] 4.2.3.112 [VIEW IN KEGG] 4.2.3.26 [VIEW IN KEGG] 4.2.1.127 [VIEW IN KEGG] 4.2.3.25 [VIEW IN KEGG] 4.2.3.111 [VIEW IN KEGG] 1.1.1.296 [VIEW IN KEGG] 1.1.1.323 [VIEW IN KEGG] |
| Ingredient_name: cyanin | Alias: LMPK12010113; Cyanidin 3,5-diglucoside; cyanine; Cyanin |
| Ingredient_formula: C27H31O16+ | Ingredient_Smile: C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
| Ingredient_weight: 611.5 g/mol | OB_score: 47.42092269 |
| PubChem_id: 441688 | EC: 2.3.1.153 [VIEW IN KEGG] 2.3.1.215 [VIEW IN KEGG] 2.4.1.298 [VIEW IN KEGG] 2.4.1.299 [VIEW IN KEGG] 2.4.1.297 [VIEW IN KEGG] 2.4.1.300 [VIEW IN KEGG] |
| Ingredient_name: l-beta-cyanolanine | Alias: NA |
| Ingredient_formula: NA | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: Malvidin-3,5-diglucoside | Alias: malvidin-3,5-diglucoside |
| Ingredient_formula: C29H35ClO17 | Ingredient_Smile: COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O.[Cl-] |
| Ingredient_weight: 691 g/mol | OB_score: 13.88864892 |
| PubChem_id: 5319251 | EC: - |
| Ingredient_name: malvin | Alias: NA |
| Ingredient_formula: C29H35O17+ | Ingredient_Smile: COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O |
| Ingredient_weight: 655.6 g/mol | OB_score: NA |
| PubChem_id: 3830888 | EC: - |
| Ingredient_name: matteucinin | Alias: NA |
| Ingredient_formula: C30H38O15 | Ingredient_Smile: CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)C)OC(CC2=O)C5=CC=C(C=C5)OC)O |
| Ingredient_weight: 0 | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: matteucinol | Alias: NA |
| Ingredient_formula: C18H18O5 | Ingredient_Smile: CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)OC)C)O |
| Ingredient_weight: 314.3 g/mol | OB_score: NA |
| PubChem_id: 160490 | EC: - |
| Ingredient_name: mauotusinin | Alias: NA |
| Ingredient_formula: C41H26O25 | Ingredient_Smile: C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7=C(O6)C(=C(C=C7C(=O)O3)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: Methyl myristate | Alias: RG9851783C; AX8139517; SBB058686; ZINC36431114; Methyl myristate, >=98%, FG; myristic acid methyl; Uniphat A50; 124-10-7; NSC 5029; STL453780; tetradecanoic acid methyl ester; ZAZKJZBWRNNLDS-UHFFFAOYSA-N; DSSTox_CID_7019; Acide myristique methyl ester; NSC-5029; Metholeneat 2495; WE(1:0/14:0); S0310; FT-0686716; CHEBI:89199; Emery 2214; Methyl myristate, certified reference material, TraceCERT(R); DSSTox_RID_78281; methyl-myristate; EC 204-680-1; methylmyristate; KB-203146; AKOS004910358; SCHEMBL158121; KSC491S7H; MolPort-001-780-240; DSSTox_GSID_27019; TR-003750; Myristic acid, methyl ester; J-005043; AC1L1LBD; UNII-RG9851783C; NSC5029; ST51037336; Myristic acid, methyl ester (8CI); Methyl myristylate; Methyl myristate, analytical standard; W272205_ALDRICH; AN-22942; HSDB 5602; Myristic acid methyl ester; AI3-01980; Methyl myristate, >=99% (GC); DTXSID5027019; Tetradecanoic acid, methyl ester; methyl myristate; Methyl n-tetradecanoate; 46230_RIEDEL; NCGC00257566-01; RTR-003750; M0482; E(R)EAEa(1/4)xo yen; CHEMBL207549; Tox21_200012; LMFA07010467; FEMA No. 2722; AK114435; EINECS 204-680-1; C15H30O2; Methyltetradecanoate; Methyl myristate, United States Pharmacopeia (USP) Reference Standard; myristic acid methyl ester; KS-00000UW6; Tetradecanoic acid methyl ester (FAME MIX); formyl tetradecanoate; METHYL MYRISTATE, 99.5%; CS-W004288; F205A716-B088-445E-981A-7037783C0147; ANW-42105; MFCD00008983; I14-13867; NCGC00164312-02; CTK3J1973; SC-19007; ST24031207; 70130_FLUKA; Tetradecanoic Acid Methyl Ester; NCGC00164312-01; Jsp001606; Methyl tetradecanoate; MCULE-3729213959; ACMC-1BUCV; M3378_SIGMA; 70129_FLUKA; CAS-124-10-7; METHYL MYRISTATE |
| Ingredient_formula: C15H30O2 | Ingredient_Smile: CCCCCCCCCCCCCC(=O)OC |
| Ingredient_weight: 242.4 | OB_score: 19.68203501 |
| PubChem_id: 31284 | EC: - |
| Ingredient_name: Peonin | Alias: peonin; peonidin 3,5-diglucoside; Peonidin 3-glucoside-5-glucoside; LMPK12010238; SCHEMBL317322 |
| Ingredient_formula: C28H33O16+ | Ingredient_Smile: COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
| Ingredient_weight: 625.6 g/mol | OB_score: 13.70818636 |
| PubChem_id: 44256843 | EC: - |