Molecule

N-Demethylcycleanine

AlkaPlorer ID: AK147337

Synonym: ''

IUPAC Name: (11R,26R)-4,5,19,20-tetramethoxy-10-methyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene

Structure

SMILES: COC1=C(OC)C2=C3C(=C1)CCN(C)[C@@H]3CC1=CC=C(C=C1)OC1=C3C(=CC(OC)=C1OC)CCN[C@@H]3CC1=CC=C(C=C1)O2

InChI: InChI=1S/C37H40N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-8-12-26(13-9-23)44-36-32-24(20-30(40-2)34(36)42-4)14-16-38-28(32)18-22-6-10-27(45-37)11-7-22/h6-13,20-21,28-29,38H,14-19H2,1-5H3/t28-,29-/m1/s1

InChIKey: ZYKGNXPEWXZKGA-FQLXRVMXSA-N

Reference

PubChem CID: 21582963

SuperNatural Ⅲ: SN0483649-03

NPASS: NPC204131

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Passiflora coccinea	Passiflora	Passifloraceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Achyrocline satureioides	Achyrocline	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Maytenus octogona	Maytenus	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heliothis maritima	Heliothis	Noctuidae	Lepidoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Agathosma bisulca	Agathosma	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Brickellia dentata	Brickellia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Russula paludosa	Russula	Russulaceae	Russulales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Karwinskia subcordata	Karwinskia	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Funneliformis mosseae	Funneliformis	Glomeraceae	Glomerales	Glomeromycetes	Mucoromycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 608.7350000000002

TPSA？: 70.65

MolLogP？: 6.820200000000008

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 10

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi