Molecule

(3S,9aS,9bS)-6-[2-(5-hydroxy-2-methylphenyl)ethyl]-2,3-dimethyl-1H,3H,4H,5H,8H,9H,9bH-indeno[3,3a-c]pyrrol-7-one

AlkaPlorer ID: AK110969

Synonym: None

IUPAC Name: (3S,3aS,9aS)-6-[2-(5-hydroxy-2-methylphenyl)ethyl]-2,3-dimethyl-3,3a,4,5,8,9-hexahydro-1H-indeno[1,7a-c]pyrrol-7-one

Structure

SMILES: CC1=CC=C(O)C=C1CCC1=C2CC[C@@H]3[C@H](C)N(C)C[C@]23CCC1=O

InChI: InChI=1S/C22H29NO2/c1-14-4-6-17(24)12-16(14)5-7-18-20-9-8-19-15(2)23(3)13-22(19,20)11-10-21(18)25/h4,6,12,15,19,24H,5,7-11,13H2,1-3H3/t15-,19+,22-/m0/s1

InChIKey: GIOKUXWVWCSZCW-LYLBAIIYSA-N

Reference

PubChem CID: 162884893

SuperNatural Ⅲ: SN0106708-01

NPASS: NPC184151

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Sinapis alba	Sinapis	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Xylopia caudata	Xylopia	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Oenanthe javanica	Oenanthe	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erythrina abyssinica	Erythrina	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Scrophularia nodosa	Scrophularia	Scrophulariaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspergillus nidulans	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 339.47900000000016

TPSA？: 40.54

MolLogP？: 4.023020000000003

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi