01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Nagilactone b
- Molecular Formula
- C19H24O7
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)C1=C2C(C3C4C(CC(C(C4(C2=CC(=O)O1)C)O)O)(C(=O)O3)C)O
- Isomeric SMILES
- CC(C)C1=C2[C@H]([C@@H]3[C@H]4[C@](C[C@H]([C@H]([C@@]4(C2=CC(=O)O1)C)O)O)(C(=O)O3)C)O
- InChI
- InChI=1S/C19H24O7/c1-7(2)13-11-8(5-10(21)25-13)19(4)15-14(12(11)22)26-17(24)18(15,3)6-9(20)16(19)23/h5,7,9,12,14-16,20,22-23H,6H2,1-4H3/t9-,12-,14-,15+,16-,18+,19-/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.629
- 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 ingredient4 Herbs