Molecule

UNPD106625

AlkaPlorer ID: AK079001

Synonym: None

IUPAC Name: methyl (1R,2S,4aR,4bS,8R,8aR,10aR)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-2-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)[C@@H]2CC(=O)[C@@H]3[C@@H](C)C(=CC(=O)OCCN(C)C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O

InChI: InChI=1S/C25H39NO6/c1-15-16(13-21(29)32-12-11-26(4)5)7-8-17-22(15)18(27)14-19-24(17,2)10-9-20(28)25(19,3)23(30)31-6/h13,15,17,19-20,22,28H,7-12,14H2,1-6H3/t15-,17-,19+,20-,22+,24+,25+/m0/s1

InChIKey: COOVABWZUIWIFI-SDNLWLLISA-N

Reference

Three New Alkaloids from the Bark of Erythrophleum guineense G. Don syn. E. suaveolens (Guill. & Perr) Brenan.

PubChem CID: 163011254

LOTUS: LTS0089578

Source

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

Properties Information

Molecule Weight: 449.5880000000004

TPSA？: 93.14

MolLogP？: 2.609200000000001

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi