01
沉香
Chen Xiang / Aquilariae Lignum Resinatum; Lignum Aquilariae Resinatum
Chen XiangAquilariae Lignum Resinatum; Lignum Aquilariae Resinatum
Ingredients
2'-hydroxy-3',4-dimethoxy-isoflavane-7-o-beta-d-glucoside
C23H32O10
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2'-hydroxy-3',4-dimethoxy-isoflavane-7-o-beta-d-glucoside
- Molecular Formula
- C23H32O10
- Molecular Weight
- No data
- Canonical SMILES
- COC1C=CC(C(C1OC)O)C2CC3=C(C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC2
- Isomeric SMILES
- COC1C=CC(C(C1OC)O)C2CC3=C(C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC2
- InChI
- InChI=1S/C23H32O10/c1-29-15-6-5-14(18(25)22(15)30-2)12-7-11-3-4-13(8-16(11)31-10-12)32-23-21(28)20(27)19(26)17(9-24)33-23/h3-6,8,12,14-15,17-28H,7,9-10H2,1-2H3/t12?,14?,15?,17-,18?,19-,20+,21-,22?,23-/m1/s1
- Oral Bioavailability
- 19.173
- Drug Likeness
- 0.329
- 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.