Molecule

(1R,14S)-20,21,25-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,18,20,22(33),24,26,31,34-dodecaen-6-ol

AlkaPlorer ID: AK114623

Synonym: None

IUPAC Name: (1R,14S)-20,21,25-trimethoxy-15-methyl-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),18,20,22(33),24,26,31-dodecaen-6-ol

Structure

SMILES: COC1=CC2=C3C=C1OC1=C4C(=CC(OC)=C1OC)CCN(C)[C@H]4CC1=CC=C(C=C1)OC1=CC(=CC=C1O)C[C@H]3NCC2

InChI: InChI=1S/C36H38N2O6/c1-38-14-12-24-19-33(41-3)35(42-4)36-34(24)28(38)16-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)15-27-26-20-32(44-36)31(40-2)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28+/m1/s1

InChIKey: FFMSDFHGOKKUKH-IZLXSDGUSA-N

Reference

Bisbenzylisoquinoline alkaloids from Guatteria boliviana (Annonaceae)

PubChem CID: 15558880

LOTUS: LTS0117777

SuperNatural Ⅲ: SN0084328-01

NPASS: NPC69641

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
Myxine glutinosa	Myxine	Myxinidae	Myxiniformes	Myxini	Chordata	Metazoa	Eukaryota
Euscaphis japonica	Euscaphis	Staphyleaceae	Crossosomatales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 594.7080000000001

TPSA？: 81.65

MolLogP？: 6.517200000000008

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi