Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

Ajugamarin

C29H40O10

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Entity Type: Ingredients
Relation Groups: 2
Relation Preview: 8

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name: Ajugamarin
Molecular Formula: C29H40O10
Molecular Weight: No data
Canonical SMILES: CC=C(C)C(=O)OC1CCC2(CO2)C3(C1C(C(CC3OC(=O)C)C)(C)CC(C4=CC(=O)OC4)O)COC(=O)C
Isomeric SMILES: C/C=C(\C)/C(=O)O[C@@H]1CC[C@]2(CO2)[C@]3([C@H]1[C@@]([C@@H](C[C@@H]3OC(=O)C)C)(C)CC(C4=CC(=O)OC4)O)COC(=O)C
InChI: InChI=1S/C29H40O10/c1-7-16(2)26(34)39-22-8-9-28(14-37-28)29(15-36-18(4)30)23(38-19(5)31)10-17(3)27(6,25(22)29)12-21(32)20-11-24(33)35-13-20/h7,11,17,21-23,25,32H,8-10,12-15H2,1-6H3/b16-7+/t17-,21?,22-,23+,25-,27+,28+,29-/m1/s1
Oral Bioavailability: 28.394
Drug Likeness: 0.209
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 target5 Targets

Graph More Targets

01

annexin A1

annexin A1

02

androgen receptor

androgen receptor

03

ATPase Na+/K+ transporting subunit alpha 1

ATPase Na+/K+ transporting subunit alpha 1

04

nuclear receptor subfamily 3 group C member 1

nuclear receptor subfamily 3 group C member 1

05

protein phosphatase 1 catalytic subunit gamma

protein phosphatase 1 catalytic subunit gamma