Molecule

Prostephabyssine

AlkaPlorer ID: AK070925

Synonym: None

IUPAC Name: (1R,8S,10S,11R)-4,12-dimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5,12-tetraene-3,11-diol

Structure

SMILES: COC1=CC[C@]23CCN(C)[C@@]24C[C@H](O[C@@]14O)C1=CC=C(OC)C(O)=C13

InChI: InChI=1S/C19H23NO5/c1-20-9-8-17-7-6-14(24-3)19(22)18(17,20)10-13(25-19)11-4-5-12(23-2)16(21)15(11)17/h4-6,13,21-22H,7-10H2,1-3H3/t13-,17+,18-,19-/m0/s1

InChIKey: MLEYOIRGICHLGN-PZGXJPJSSA-N

Reference

Hasubanan Type Alkaloids from Stephania longa

PubChem CID: 21593990

LOTUS: LTS0133821

SuperNatural Ⅲ: SN0228604-02

NPASS: NPC99179

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Protea rubropilosa	Protea	Proteaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stephania japonica	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stephania abyssinica	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stephania longa	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 345.3950000000001

TPSA？: 71.39000000000001

MolLogP？: 1.8105

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Delta opioid receptor	IC50	5500.0	nM	10.1021/np100009j
Homo sapiens	Kappa opioid receptor	Inhibition	0.0	%	10.1021/np100009j
Homo sapiens	Mu opioid receptor	Inhibition	67.0	%	10.1021/np100009j