01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Kadsulactone
- Molecular Formula
- C30H44O4
- Molecular Weight
- No data
- Canonical SMILES
- CC1C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(=O)C6(C)C)C)COC(=O)C(=CCC1O)C
- Isomeric SMILES
- C[C@H]1[C@H]2CC[C@@]3([C@@]2(CCC45[C@H]3CCC6[C@]4(C5)CCC(=O)C6(C)C)C)COC(=O)/C(=C\C[C@H]1O)/C
- InChI
- InChI=1S/C30H44O4/c1-18-6-7-21(31)19(2)20-10-12-30(17-34-25(18)33)23-9-8-22-26(3,4)24(32)11-13-28(22)16-29(23,28)15-14-27(20,30)5/h6,19-23,31H,7-17H2,1-5H3/b18-6-/t19-,20+,21+,22?,23+,27+,28+,29?,30+/m0/s1
- Oral Bioavailability
- 42.874
- Drug Likeness
- 0.452
- 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 ingredient3 Herbs