Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

14-deoxy-12-methoxyandrographolide

C21H32O5

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Entity Type: Ingredients
Relation Groups: 2
Relation Preview: 9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name: 14-deoxy-12-methoxyandrographolide
Molecular Formula: C21H32O5
Molecular Weight: No data
Canonical SMILES: CC12CCC(C(C1CCC(=C)C2CC(C3=CCOC3=O)OC)(C)CO)O
Isomeric SMILES: C[C@@]12CC[C@H]([C@@](C1CCC(=C)[C@H]2CC(C3=CCOC3=O)OC)(C)CO)O
InChI: InChI=1S/C21H32O5/c1-13-5-6-17-20(2,9-7-18(23)21(17,3)12-22)15(13)11-16(25-4)14-8-10-26-19(14)24/h8,15-18,22-23H,1,5-7,9-12H2,2-4H3/t15-,16?,17?,18-,20+,21+/m1/s1
Oral Bioavailability: 70.291
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

Direct relations and traceable candidates grouped by relation type.

Source Herbs Active Targets

Active Targets

ingredient target8 Targets

Graph More Targets

01

acetylcholinesterase (Cartwright blood group)

acetylcholinesterase (Cartwright blood group)

02

androgen receptor

androgen receptor

03

ATPase Na+/K+ transporting subunit alpha 1

ATPase Na+/K+ transporting subunit alpha 1

04

ATPase Na+/K+ transporting subunit alpha 2

ATPase Na+/K+ transporting subunit alpha 2

05

ATPase Na+/K+ transporting subunit alpha 3

ATPase Na+/K+ transporting subunit alpha 3

06

dipeptidyl peptidase 4

dipeptidyl peptidase 4

07

estrogen receptor 1

estrogen receptor 1

08

gamma-aminobutyric acid type A receptor subunit beta3

gamma-aminobutyric acid type A receptor subunit beta3