Molecule

(16Z)-12,28-diazapentacyclo[22.7.1.18,12.010,25.028,32]tritriaconta-8,16-dien-31-one

AlkaPlorer ID: AK443444

Synonym: None

IUPAC Name: (16Z)-12,28-diazapentacyclo[22.7.1.18,12.010,25.028,32]tritriaconta-8,16-dien-31-one

Structure

SMILES: O=C1CCN2CCC3C4C=C5CCCCCCC1C2C3CCCCCC/C=C\CCCN(C5)C4

InChI: InChI=1S/C31H50N2O/c34-30-18-21-33-20-17-27-26-22-25-14-10-7-8-12-16-29(30)31(33)28(27)15-11-6-4-2-1-3-5-9-13-19-32(23-25)24-26/h3,5,22,26-29,31H,1-2,4,6-21,23-24H2/b5-3-

InChIKey: LGNPAXFORTZWPR-HYXAFXHYSA-N

Reference

Further studies of alkaloids from Reniera sarai: Structures of saraine-3 and isosaraine-3; absolute stereochemistry of saraine-1 and saraine-2

PubChem CID: 152772141

LOTUS: LTS0203238

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Haliclona sarai	Haliclona	Chalinidae	Haplosclerida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 466.7540000000004

TPSA？: 23.550000000000004

MolLogP？: 6.785100000000008

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi