01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 13
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Isoagarotetrol
- Molecular Formula
- C17H18O6
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O
- Isomeric SMILES
- C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)[C@@H]([C@H]([C@@H]([C@H]3O)O)O)O
- InChI
- InChI=1S/C17H18O6/c18-11-8-10(7-6-9-4-2-1-3-5-9)23-17-12(11)13(19)14(20)15(21)16(17)22/h1-5,8,13-16,19-22H,6-7H2/t13-,14+,15-,16+/m0/s1
- Oral Bioavailability
- 2.696
- Drug Likeness
- 0.644
- 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 ingredient5 Herbs
02
沉香
Chen Xiang / Aquilariae Lignum Resinatum; Lignum Aquilariae Resinatum
Chen XiangAquilariae Lignum Resinatum; Lignum Aquilariae Resinatum
03
04
05