Vertine; 5-Epimer, 12,13-dihydro, 13S-hydroxy
AlkaPlorer ID: AK317609
Synonym: Lythridine, Sinine
IUPAC Name: 9,13-dihydroxy-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)CC(O)C1=CC=C(O)C2=C1
InChI: InChI=1S/C26H31NO6/c1-31-24-12-18-19(13-25(24)32-2)21-11-17(10-16-5-3-4-8-27(16)21)33-26(30)14-23(29)15-6-7-22(28)20(18)9-15/h6-7,9,12-13,16-17,21,23,28-29H,3-5,8,10-11,14H2,1-2H3
InChIKey: AZYBQXPITOLDBL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Heimia myrtifolia | Heimia | Lythraceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Heimia salicifolia | Heimia | Lythraceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 453.5350000000002
TPSA？: 88.46000000000001
MolLogP？: 4.1147000000000045
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|