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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Lithospermidin a

C21H24O7

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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
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