3-Oxovoacangine
AlkaPlorer ID: AK120511
Synonym: '19-Oxovoacangine'
IUPAC Name: methyl (1S,15R,17S,18S)-17-ethyl-7-methoxy-14-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Structure
SMILES: CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)C4=C(CCN(C2=O)[C@@H]13)C1=CC(OC)=CC=C1N4
InChI: InChI=1S/C22H26N2O4/c1-4-12-9-13-11-22(21(26)28-3)18-15(7-8-24(19(12)22)20(13)25)16-10-14(27-2)5-6-17(16)23-18/h5-6,10,12-13,19,23H,4,7-9,11H2,1-3H3/t12-,13+,19-,22+/m0/s1
InChIKey: LTQINICYLGNLHN-IMDACWRGSA-N
Reference
Heyneanine Hydroxyindolenine, A New Indole Alkaloid from Ervatamia coronaria var. plena
PubChem CID: 12110672
LOTUS: LTS0234014
NPASS: NPC311906
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Holacantha emoryi | Holacantha | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Dorstenia zenkeri | Dorstenia | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 382.46
TPSA？: 71.63
MolLogP？: 2.790400000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6