Molecule

Aspidospermine; O-De-Me

AlkaPlorer ID: AK289568

Synonym: Demethylaspidospermine

IUPAC Name: 1-(12-ethyl-6-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl)ethanone

SMILES: CCC12CCCN3CCC4(C5=CC=CC(O)=C5N(C(C)=O)C4CC1)C32

InChI: InChI=1S/C21H28N2O2/c1-3-20-9-5-12-22-13-11-21(19(20)22)15-6-4-7-16(25)18(15)23(14(2)24)17(21)8-10-20/h4,6-7,17,19,25H,3,5,8-13H2,1-2H3

InChIKey: XLNXVRNSNBJROM-UHFFFAOYSA-N

PubChem CID: 580314

LOTUS: LTS0120253

COCONUT: CNP0203098.2

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Geissospermum argenteum	Geissospermum	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Aspidosperma	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Strempeliopsis strempelioides	Strempeliopsis	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vallesia antillana	Vallesia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Aspidosperma	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 340.46700000000016

TPSA？: 43.78

MolLogP？: 3.4234000000000018

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 5

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi