Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

14-deoxy-11,12-didehydroandrographolide

C20H28O4

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Entity Type: Ingredients
Relation Groups: 2
Relation Preview: 12

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name: 14-deoxy-11,12-didehydroandrographolide
Molecular Formula: C20H28O4
Molecular Weight: No data
Canonical SMILES: CC12CCC(C(C1CCC(=C)C2C=CC3=CCOC3=O)(C)CO)O
Isomeric SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=CCOC3=O)(C)CO)O
InChI: InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,17-,19+,20+/m1/s1
Oral Bioavailability: 13.600
Drug Likeness: 0.616
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

Direct relations and traceable candidates grouped by relation type.

Source Herbs Active Targets

Source Herbs

herb ingredient4 Herbs

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Chuan Xin Lian / Herba Andrographis; Andrographis Herba

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Fu Zi / Radix Aconiti Lateralis Praeparata; Aconiti Lateralis Radix Praeparata

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