Molecule

Saraine 2; 1,2,9-Triepimer

AlkaPlorer ID: AK312932

Synonym: Isosaraine 2

IUPAC Name: 12,27-diazapentacyclo[21.7.1.18,12.010,24.027,31]dotriacont-8-en-30-one

Structure

SMILES: O=C1CCN2CCC3C4C=C5CCCCCCC1C2C3CCCCCCCCCCN(C5)C4

InChI: InChI=1S/C30H50N2O/c33-29-17-20-32-19-16-26-25-21-24-13-9-6-7-11-15-28(29)30(32)27(26)14-10-5-3-1-2-4-8-12-18-31(22-24)23-25/h21,25-28,30H,1-20,22-23H2

InChIKey: WTUWNHMLLRTMAH-UHFFFAOYSA-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: 73798212

LOTUS: LTS0034012

COCONUT: CNP0435525.1

Source

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

Properties Information

Molecule Weight: 454.7430000000005

TPSA？: 23.550000000000004

MolLogP？: 6.619000000000008

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi