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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Chelilutine

C22H20NO5+

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
13

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Chelilutine
Molecular Formula
C22H20NO5+
Molecular Weight
No data
Canonical SMILES
C[N+]1=C2C(=C3C(=CC(=C(C3=C1)OC)OC)OC)C=CC4=CC5=C(C=C42)OCO5
Isomeric SMILES
C[N+]1=C2C(=C3C(=CC(=C(C3=C1)OC)OC)OC)C=CC4=CC5=C(C=C42)OCO5
InChI
InChI=1S/C22H20NO5/c1-23-10-15-20(18(24-2)9-19(25-3)22(15)26-4)13-6-5-12-7-16-17(28-11-27-16)8-14(12)21(13)23/h5-10H,11H2,1-4H3/q+1
Oral Bioavailability
53.549
Drug Likeness
0.402
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

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