01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Oxotuberostemonine
- Molecular Formula
- C22H31NO5
- Molecular Weight
- No data
- Canonical SMILES
- CCC1C(C2C(C(=O)OC23CC(N4C3=C1CCCC4)C5CC(C(=O)O5)C)C)O
- Isomeric SMILES
- CC[C@H]1[C@@H]([C@@H]2[C@@H](C(=O)O[C@@]23C[C@H](N4C3=C1CCCC4)[C@@H]5C[C@@H](C(=O)O5)C)C)O
- InChI
- InChI=1S/C22H31NO5/c1-4-13-14-7-5-6-8-23-15(16-9-11(2)20(25)27-16)10-22(19(14)23)17(18(13)24)12(3)21(26)28-22/h11-13,15-18,24H,4-10H2,1-3H3/t11-,12-,13+,15-,16-,17-,18-,22-/m0/s1
- Oral Bioavailability
- 18.203
- Drug Likeness
- 0.731
- 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
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