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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Berbamine

C37H40N2O6

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
16

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Berbamine
Molecular Formula
C37H40N2O6
Molecular Weight
No data
Canonical SMILES
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
Isomeric SMILES
CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
InChI
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
Oral Bioavailability
27.609
Drug Likeness
0.271
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

Active Targets

ingredient target8 Targets
GraphMore Targets
01
ABCB1
ATP binding cassette subfamily B member 1
ATP binding cassette subfamily B member 1
DetailsGraph
02
ACHE
acetylcholinesterase (Cartwright blood group)
acetylcholinesterase (Cartwright blood group)
DetailsGraph