01
Ingredients
7-[[(1s,4as,6r,8ar)-6-hydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methoxy]coumarin
C24H30O4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 7-[[(1s,4as,6r,8ar)-6-hydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methoxy]coumarin
- Molecular Formula
- C24H30O4
- Molecular Weight
- No data
- Canonical SMILES
- CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C
- Isomeric SMILES
- C[C@@]12CC[C@H](C([C@H]1CCC(=C)[C@@H]2COC3=CC4=C(C=C3)C=CC(=O)O4)(C)C)O
- InChI
- InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3/t18-,20+,21+,24-/m0/s1
- Oral Bioavailability
- 42.360
- Drug Likeness
- 0.603
- 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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