Molecule

(+)-Quebrachidine

AlkaPlorer ID: AK004332

Synonym: 'Quebrachidine', '', '(+)-Vincarine'

IUPAC Name: methyl (1R,9S,10S,12S,13E,16S,17R,18S)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

Structure

SMILES: C/C=C1/CN2[C@H]3C[C@@]45C6=CC=CC=C6N[C@@H]4[C@@H]2C[C@@H]1[C@]3(C(=O)OC)[C@H]5O

InChI: InChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15-,16-,17+,18-,20+,21+/m0/s1

InChIKey: RLUORQGMBKDXPO-HAPGVSDASA-N

Reference

�ber neue Alkaloide aus der Rinde von Aspidosperma Quebracho blanco Schlecht

PubChem CID: 11870794

LOTUS: LTS0142452

SuperNatural Ⅲ: SN0328914-21

NPASS: NPC131269

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Heliotropium megalanthum	Heliotropium	Heliotropiaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Diospyros rhombifolia	Diospyros	Ebenaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vitis rotundifolia	Vitis	Vitaceae	Vitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cornus officinalis	Cornus	Cornaceae	Cornales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 352.43400000000014

TPSA？: 61.80000000000001

MolLogP？: 1.6751

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi