Molecule

Guatteboline

AlkaPlorer ID: AK082250

Synonym: ''

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

Structure

SMILES: COC1=CC2=C3C=C1OC1=C4C(=NCCC4=CC(OC)=C1OC)CC1=CC=C(C=C1)OC1=CC(=CC=C1O)C[C@H]3NCC2

InChI: InChI=1S/C35H34N2O6/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/h4-9,16-19,26,36,38H,10-15H2,1-3H3/t26-/m1/s1

InChIKey: MQXGGMRXWGLPJV-AREMUKBSSA-N

Reference

Bisbenzylisoquinoline alkaloids from Guatteria boliviana (Annonaceae)

PubChem CID: 10053935

LOTUS: LTS0056534

SuperNatural Ⅲ: SN0232998-01

NPASS: NPC219447

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: 578.6650000000001

TPSA？: 90.77

MolLogP？: 6.333400000000007

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi