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Ingredients

(3s,8s,9s,10r,13r,14s,17r)-17-[(2r,5s)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol

C29H48O

Entity Type
Ingredients
Relation Groups
2
Relation Preview
7

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(3s,8s,9s,10r,13r,14s,17r)-17-[(2r,5s)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Formula
C29H48O
Molecular Weight
No data
Canonical SMILES
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=C)C
Isomeric SMILES
CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(=C)C
InChI
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20-21,23-27,30H,2,7-9,11-18H2,1,3-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
Oral Bioavailability
7.560
Drug Likeness
0.439
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient4 Herbs
01
使君子
Shi Jun Zi / Fructus Quisqualis; Quisqualis Fructus
Shi Jun ZiFructus Quisqualis; Quisqualis Fructus
02
山药
Shan Yao / Rhizoma Dioscoreae; Dioscoreae Rhizoma
Shan YaoRhizoma Dioscoreae; Dioscoreae Rhizoma
04
甜茶
Tian Cha / Rubus Chingii Var. Suavissimus
Tian ChaRubus Chingii Var. Suavissimus