Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

Voacangine

C22H28N2O3

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Entity Type: Ingredients
Relation Groups: 2
Relation Preview: 9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name: Voacangine
Molecular Formula: C22H28N2O3
Molecular Weight: No data
Canonical SMILES: CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC
Isomeric SMILES: CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC
InChI: InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-16(7-8-24(12-13)20(14)22)17-10-15(26-2)5-6-18(17)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/t13-,14-,20-,22+/m0/s1
Oral Bioavailability: 46.756
Drug Likeness: 0.845
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

ATP binding cassette subfamily B member 1

ATP binding cassette subfamily B member 1

02

acetylcholinesterase (Cartwright blood group)

acetylcholinesterase (Cartwright blood group)

03

adrenoceptor alpha 1A

adrenoceptor alpha 1A

04

adrenoceptor alpha 1B

adrenoceptor alpha 1B

05

adrenoceptor alpha 1D

adrenoceptor alpha 1D

06

adrenoceptor beta 2

adrenoceptor beta 2

07

androgen receptor

androgen receptor

08

cholinergic receptor muscarinic 1

cholinergic receptor muscarinic 1