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Ingredients

(3s,8s,9s,10r,13r,14s,17r)-17-[(e,1r,4r)-1,4-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol

C27H44O

Entity Type
Ingredients
Relation Groups
2
Relation Preview
9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(3s,8s,9s,10r,13r,14s,17r)-17-[(e,1r,4r)-1,4-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Formula
C27H44O
Molecular Weight
No data
Canonical SMILES
CCC(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Isomeric SMILES
CC[C@@H](C)/C=C/[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
InChI
InChI=1S/C27H44O/c1-6-18(2)7-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7-9,18-19,21-25,28H,6,10-17H2,1-5H3/b8-7+/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
Oral Bioavailability
15.332
Drug Likeness
0.510
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.

Active Targets

ingredient target8 Targets
01
AKR1C1
aldo-keto reductase family 1 member C1
aldo-keto reductase family 1 member C1
02
AKR1C2
aldo-keto reductase family 1 member C2
aldo-keto reductase family 1 member C2
07
GABRA1
gamma-aminobutyric acid type A receptor subunit alpha1
gamma-aminobutyric acid type A receptor subunit alpha1
08
GABRA2
gamma-aminobutyric acid type A receptor subunit alpha2
gamma-aminobutyric acid type A receptor subunit alpha2