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Ingredients

(5r,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-17-[(1r,4s,5r)-4,5,6-trihydroxy-1,5-dimethylhexyl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

C30H48O4

Entity Type
Ingredients
Relation Groups
2
Relation Preview
4

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(5r,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-17-[(1r,4s,5r)-4,5,6-trihydroxy-1,5-dimethylhexyl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Molecular Formula
C30H48O4
Molecular Weight
No data
Canonical SMILES
CC(CCC(C(C)(CO)O)O)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C
Isomeric SMILES
C[C@H](CC[C@@H]([C@@](C)(CO)O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
InChI
InChI=1S/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,25+,27-,28-,29+,30-/m1/s1
Oral Bioavailability
28.917
Drug Likeness
0.470
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 target3 Targets
01
ACHE
acetylcholinesterase (Cartwright blood group)
acetylcholinesterase (Cartwright blood group)