Vertine; 5-Epimer, 12,13-dihydro
AlkaPlorer ID: AK317606
Synonym: Decinine, Dihydrolythrine, Cryogenine
IUPAC Name: 9-hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one
Structure
SMILES: COC1=CC2=C(C=C1OC)C1CC(CC3CCCCN31)OC(=O)CCC1=CC=C(O)C2=C1
InChI: InChI=1S/C26H31NO5/c1-30-24-14-19-20(15-25(24)31-2)22-13-18(12-17-5-3-4-10-27(17)22)32-26(29)9-7-16-6-8-23(28)21(19)11-16/h6,8,11,14-15,17-18,22,28H,3-5,7,9-10,12-13H2,1-2H3
InChIKey: CUPVWBKZXUQNOL-UHFFFAOYSA-N
Reference
Structures of the Lythraceae alkaloids lythrumine and acetyllythrumine
PubChem CID: 73799197
LOTUS: LTS0246976
COCONUT: CNP0184257.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Decodon verticillatus | Decodon | Lythraceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Lagerstroemia indica | Lagerstroemia | Lythraceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 437.5360000000002
TPSA？: 68.23
MolLogP？: 4.6238000000000055
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|