01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Bauer-7-ene-3beta-16alpha-diol
- Molecular Formula
- C30H50O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1CCC2(C(CC3(C4=CCC5C(C(CCC5(C4CCC3(C2C1C)C)C)O)(C)C)C)O)C
- Isomeric SMILES
- C[C@@H]1CC[C@@]2([C@@H](C[C@@]3(C4=CC[C@@H]5[C@@]([C@H]4CC[C@]3([C@@H]2[C@H]1C)C)(CC[C@@H](C5(C)C)O)C)C)O)C
- InChI
- InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)21-9-10-22-26(3,4)23(31)13-15-27(22,5)20(21)12-16-29(30,7)25(28)19(18)2/h9,18-20,22-25,31-32H,10-17H2,1-8H3/t18-,19+,20+,22+,23+,24-,25-,27-,28-,29+,30-/m1/s1
- Oral Bioavailability
- 16.467
- Drug Likeness
- 0.397
- 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.