01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Valivine
- Molecular Formula
- C28H47NO3
- Molecular Weight
- No data
- Canonical SMILES
- CC(C1CCCCCN1C)C2(CC(C3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)O)O
- Isomeric SMILES
- C[C@@H](C1CCCCCN1C)C2(C[C@H]([C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O)O
- InChI
- InChI=1S/C28H47NO3/c1-18(23-8-6-5-7-15-29(23)4)28(32)17-24(31)25-21-10-9-19-16-20(30)11-13-26(19,2)22(21)12-14-27(25,28)3/h9,18,20-25,30-32H,5-8,10-17H2,1-4H3/t18-,20-,21+,22-,23?,24+,25+,26-,27-,28?/m0/s1
- Oral Bioavailability
- 16.079
- Drug Likeness
- 0.547
- 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.
Active Targets
ingredient target2 Targets