01
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
Related Entities
Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient1 Herbs
