Molecule

methyl (1R,9R,10S,12R,13S,19R,20S)-19-hydroxy-12-methyl-11-oxa-8,17-diazahexacyclo[11.6.1.1¹⁰,¹³.0¹,⁹.0²,⁷.0¹⁷,²⁰]henicosa-2(7),3,5,14-tetraene-10-carboxylate

AlkaPlorer ID: AK319564

Synonym: None

IUPAC Name: methyl 19-hydroxy-12-methyl-11-oxa-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2,4,6,14-tetraene-10-carboxylate

Structure

SMILES: COC(=O)C12CC3(C=CCN4CC(O)C5(C6=CC=CC=C6NC15)C43)C(C)O2

InChI: InChI=1S/C21H24N2O4/c1-12-19-8-5-9-23-10-15(24)21(17(19)23)13-6-3-4-7-14(13)22-16(21)20(11-19,27-12)18(25)26-2/h3-8,12,15-17,22,24H,9-11H2,1-2H3

InChIKey: VFQFTNYONDVTDQ-UHFFFAOYSA-N

Reference

Catharanthus Alkaloids XXIX: Isolation and Structure Elucidation of Vincoline

PubChem CID: 5315221

LOTUS: LTS0231121

NPASS: NPC270783

COCONUT: CNP0330290.3

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Prunus salicina	Prunus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vincetoxicum hirundinaria	Vincetoxicum	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Nauclea officinalis	Nauclea	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hypericum japonicum	Hypericum	Hypericaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Catharanthus roseus	Catharanthus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 368.4330000000001

TPSA？: 71.03

MolLogP？: 1.053999999999999

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi