Molecule

Stebisimine; 12-O-De-Me

AlkaPlorer ID: AK089804

Synonym: Puertogaline B

IUPAC Name: 20,21,25-trimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),14,18,20,22(33),24,26,31-tetradecaen-6-ol

Structure

SMILES: COC1=CC2=C3C=C1OC1=C(OC)C(OC)=CC4=C1C(=NCC4)CC1=CC=C(C=C1)OC1=CC(=CC=C1O)CC3=NCC2

InChI: InChI=1S/C35H32N2O6/c1-39-30-17-22-10-12-36-26-15-21-6-9-28(38)29(16-21)42-24-7-4-20(5-8-24)14-27-33-23(11-13-37-27)18-32(40-2)34(41-3)35(33)43-31(30)19-25(22)26/h4-9,16-19,38H,10-15H2,1-3H3

InChIKey: CHBVIBICEXFYEU-UHFFFAOYSA-N

Reference

Bisbenzylisoquinoline alkaloids from Guatteria boliviana (Annonaceae)

PubChem CID: 10325829

LOTUS: LTS0117791

SuperNatural Ⅲ: SN0045588

NPASS: NPC141133

COCONUT: CNP0198198

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Croptilon divaricatum	Croptilon	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mephitis mephitis	Mephitis	Mephitidae	Carnivora	Mammalia	Chordata	Metazoa	Eukaryota
Caulerpa prolifera	Caulerpa	Caulerpaceae	Bryopsidales	Ulvophyceae	Chlorophyta	Viridiplantae	Eukaryota
Tabernaemontana divaricata	Tabernaemontana	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Taraxacum linearisquameum	Taraxacum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Guatteria boliviana	Guatteria	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Myxine glutinosa	Myxine	Myxinidae	Myxiniformes	Myxini	Chordata	Metazoa	Eukaryota
Euscaphis japonica	Euscaphis	Staphyleaceae	Crossosomatales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 576.649

TPSA？: 91.1

MolLogP？: 6.491800000000008

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi