01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 12-oxoarundoin
- Molecular Formula
- C31H50O2
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)C1CCC2C1(CCC3(C2(C(=O)C=C4C3CCC5C4(CCC(C5(C)C)OC)C)C)C)C
- Isomeric SMILES
- CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(C(=O)C=C4[C@@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC)C)C)C)C
- InChI
- InChI=1S/C31H50O2/c1-19(2)20-10-13-24-29(20,6)16-17-30(7)21-11-12-23-27(3,4)26(33-9)14-15-28(23,5)22(21)18-25(32)31(24,30)8/h18-21,23-24,26H,10-17H2,1-9H3/t20-,21+,23+,24-,26+,28-,29-,30-,31-/m1/s1
- Oral Bioavailability
- 16.428
- Drug Likeness
- 0.424
- 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 ingredient8 Herbs