Molecule

Erythrophleguine

AlkaPlorer ID: AK043743

Synonym: '', 'Erythrophleguine'

IUPAC Name: methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-10-hydroxy-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate

Structure

SMILES: COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1[C@@H](O)C(=O)[C@H]1[C@@H](C)/C(=C/C(=O)OCCN(C)C)CC[C@@H]12

InChI: InChI=1S/C25H39NO6/c1-15-16(14-18(27)32-13-12-26(4)5)8-9-17-19(15)20(28)21(29)22-24(17,2)10-7-11-25(22,3)23(30)31-6/h14-15,17,19,21-22,29H,7-13H2,1-6H3/b16-14+/t15-,17-,19-,21-,22+,24+,25-/m0/s1

InChIKey: DFDLSTQZQLKKOB-KQYSUTHUSA-N

Reference

Alkaloid-Bearing Plants and Their Contained Alkaloids. 1957-1968

PubChem CID: 5281271

CAS: 4829-28-1

LOTUS: LTS0265823

NPASS: NPC202271

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Erythrophleum couminga	Erythrophleum	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erythrophleum africanum	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: 449.5880000000004

TPSA？: 93.14

MolLogP？: 2.6092000000000004

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	4800.0	nM	10.1016/j.bmcl.2017.05.006
Homo sapiens	NCI-H1299	IC50	3800.0	nM	10.1016/j.bmcl.2017.05.006
Homo sapiens	NCI-H1975	IC50	5900.0	nM	10.1016/j.bmcl.2017.05.006