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沉香
Chen Xiang / Aquilariae Lignum Resinatum; Lignum Aquilariae Resinatum
Chen XiangAquilariae Lignum Resinatum; Lignum Aquilariae Resinatum
Ingredients
14-deoxy-15-isopropylidene-11,12-didehydro-andrographolide
C23H32O4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 14-deoxy-15-isopropylidene-11,12-didehydro-andrographolide
- Molecular Formula
- C23H32O4
- Molecular Weight
- No data
- Canonical SMILES
- CC(=C1C=C(C(=O)O1)C=CC2C(=C)CCC3C2(CCC(C3(C)CO)O)C)C
- Isomeric SMILES
- CC(=C1C=C(C(=O)O1)/C=C/[C@@H]2C(=C)CC[C@H]3[C@]2(CC[C@H]([C@@]3(C)CO)O)C)C
- InChI
- InChI=1S/C23H32O4/c1-14(2)18-12-16(21(26)27-18)7-8-17-15(3)6-9-19-22(17,4)11-10-20(25)23(19,5)13-24/h7-8,12,17,19-20,24-25H,3,6,9-11,13H2,1-2,4-5H3/b8-7+/t17-,19+,20-,22+,23+/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.579
- 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 ingredient2 Herbs