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Ingredients

1-[(5r,8r,9s,10s,12r,13s,14s,17s)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone

C21H34O2

Entity Type
Ingredients
Relation Groups
2
Relation Preview
9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
1-[(5r,8r,9s,10s,12r,13s,14s,17s)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Formula
C21H34O2
Molecular Weight
No data
Canonical SMILES
CC(=O)C1CCC2C1(C(CC3C2CCC4C3(CCCC4)C)O)C
Isomeric SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)O)C
InChI
InChI=1S/C21H34O2/c1-13(22)16-9-10-17-15-8-7-14-6-4-5-11-20(14,2)18(15)12-19(23)21(16,17)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18+,19-,20+,21-/m1/s1
Oral Bioavailability
33.474
Drug Likeness
0.767
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
ACHE
acetylcholinesterase (Cartwright blood group)
acetylcholinesterase (Cartwright blood group)
03
AKR1C1
aldo-keto reductase family 1 member C1
aldo-keto reductase family 1 member C1
04
AKR1C2
aldo-keto reductase family 1 member C2
aldo-keto reductase family 1 member C2
05
AKR1D1
aldo-keto reductase family 1 member D1
aldo-keto reductase family 1 member D1