01
Ingredients
16-oxo-3alpha,21beta-dihydroxyserrat-14-en-24-oicacid
C30H46O5
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 16-oxo-3alpha,21beta-dihydroxyserrat-14-en-24-oicacid
- Molecular Formula
- C30H46O5
- Molecular Weight
- No data
- Canonical SMILES
- CC1(C(CCC2(C1C(=O)C=C3C2CCC4C(C3)(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C)O)C
- Isomeric SMILES
- C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@H]4C(=CC(=O)[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C2)(CC[C@H]([C@]3(C)C(=O)O)O)C
- InChI
- InChI=1S/C30H46O5/c1-26(2)22(32)10-13-28(4)18-7-8-20-27(3,16-17(18)15-19(31)24(26)28)12-9-21-29(20,5)14-11-23(33)30(21,6)25(34)35/h15,18,20-24,32-33H,7-14,16H2,1-6H3,(H,34,35)/t18-,20-,21+,22+,23+,24-,27-,28+,29+,30+/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.462
- 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
