Skip to main content
Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Xanthoplanine

C21H26NO4+

View Knowledge GraphBack to List
Entity Type
Ingredients
Relation Groups
2
Relation Preview
13

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Xanthoplanine
Molecular Formula
C21H26NO4+
Molecular Weight
No data
Canonical SMILES
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)OC)C
Isomeric SMILES
C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)OC)C
InChI
InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1
Oral Bioavailability
6.864
Drug Likeness
0.857
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

Related Entities

Direct relations and traceable candidates grouped by relation type.

Source HerbsActive Targets

Source Herbs

herb ingredient5 Herbs
GraphMore Herbs
01
关黄柏
Guan Huang Bo / Phellodendri Amurensis Cortex; Cortex Phellodendri Amurensis
Guan Huang BoPhellodendri Amurensis Cortex; Cortex Phellodendri Amurensis
DetailsGraph