Vallesiachotamine; (E)-form, 10-Hydroxy
AlkaPlorer ID: AK317328
Synonym: 10-Hydroxyvallesiachotamine
IUPAC Name: methyl 9-hydroxy-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Structure
SMILES: CC=C(C=O)C1CC2C3=C(CCN2C=C1C(=O)OC)C1=CC(O)=CC=C1N3
InChI: InChI=1S/C21H22N2O4/c1-3-12(11-24)15-9-19-20-14(16-8-13(25)4-5-18(16)22-20)6-7-23(19)10-17(15)21(26)27-2/h3-5,8,10-11,15,19,22,25H,6-7,9H2,1-2H3
InChIKey: MQVIKCNEQLUJFY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ochrosia borbonica | Ochrosia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 366.417
TPSA？: 82.63
MolLogP？: 2.994700000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|