methyl (1S,4aR,4bS,7E,8R,8aR,9S,10aR)-9-hydroxy-1,4a,8-trimethyl-7-{2-[2-(methylamino)ethoxy]-2-oxoethylidene}-decahydro-2H-phenanthrene-1-carboxylate
AlkaPlorer ID: AK088282
Synonym: None
IUPAC Name: methyl (1S,4aR,4bS,7E,8R,8aR,9S,10aR)-9-hydroxy-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate
Structure
SMILES: CNCCOC(=O)/C=C1\CC[C@H]2[C@H]([C@@H](O)C[C@@H]3[C@]2(C)CCC[C@]3(C)C(=O)OC)[C@H]1C
InChI: InChI=1S/C24H39NO5/c1-15-16(13-20(27)30-12-11-25-4)7-8-17-21(15)18(26)14-19-23(17,2)9-6-10-24(19,3)22(28)29-5/h13,15,17-19,21,25-26H,6-12,14H2,1-5H3/b16-13+/t15-,17-,18-,19+,21+,23+,24-/m0/s1
InChIKey: COAPCKUZMKOWBC-SMRDVDKPSA-N
Reference
Tumour inhibitory plants. New alkaloids from the bark of Erythrophleum chlorostachys (Leguminosae)
PubChem CID: 162955654
LOTUS: LTS0026027
SuperNatural Ⅲ: SN0051040-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythrophleum chlorostachys | Erythrophleum | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 421.57800000000026
TPSA？: 84.86
MolLogP？: 3.088000000000001
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|