Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

Lithospermidin a

C21H24O7

View Knowledge Graph Back to List

Entity Type: Ingredients
Relation Groups: 2
Relation Preview: 15

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name: Lithospermidin a
Molecular Formula: C21H24O7
Molecular Weight: No data
Canonical SMILES: CCC(C)C(=O)OC(C=CC(C)(C)O)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
Isomeric SMILES: CCC(C)C(=O)OC(/C=C/C(C)(C)O)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
InChI: InChI=1S/C21H24O7/c1-5-11(2)20(26)28-16(8-9-21(3,4)27)12-10-15(24)17-13(22)6-7-14(23)18(17)19(12)25/h6-11,16,22-23,27H,5H2,1-4H3/b9-8+
Oral Bioavailability: 75.076
Drug Likeness: 0.389
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

androgen receptor

androgen receptor

02

carbonic anhydrase 2

carbonic anhydrase 2

03

cyclin dependent kinase 2

cyclin dependent kinase 2

04

estrogen receptor 1

estrogen receptor 1

05

nuclear receptor coactivator 1

nuclear receptor coactivator 1

06

nitric oxide synthase 2

nitric oxide synthase 2

07

serine protease 1

serine protease 1

08

prostaglandin-endoperoxide synthase 2

prostaglandin-endoperoxide synthase 2