Molecule

Cassaidine; 7-Ketone

AlkaPlorer ID: AK291791

Synonym: Cassaine

IUPAC Name: 2-(dimethylamino)ethyl (2Z)-2-(7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene)acetate

Structure

SMILES: CC1/C(=C\C(=O)OCCN(C)C)CCC2C1C(=O)CC1C(C)(C)C(O)CCC21C

InChI: InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13-

InChIKey: GMHWATCMBXIANN-SSZFMOIBSA-N

Reference

PubChem CID: 5351584

CAS: 468-76-8

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Erythrophleum couminga	Erythrophleum	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erythrophleum suaveolens	Erythrophleum	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erythrophleum ivorense	Erythrophleum	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erythrophleum guineense	Erythrophleum	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 405.5790000000002

TPSA？: 66.84

MolLogP？: 3.456100000000002

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi