Verticillatine; 5-Epimer, 12,13-dihydro
AlkaPlorer ID: AK317583
Synonym: Decodine
IUPAC Name: 6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-one
Structure
SMILES: COC1=CC=C2C(=C1O)C1=C(O)C=CC(=C1)CCC(=O)OC1CC3CCCCN3C2C1
InChI: InChI=1S/C25H29NO5/c1-30-22-9-7-18-20-14-17(13-16-4-2-3-11-26(16)20)31-23(28)10-6-15-5-8-21(27)19(12-15)24(18)25(22)29/h5,7-9,12,16-17,20,27,29H,2-4,6,10-11,13-14H2,1H3
InChIKey: USNBCAPIYYPNGO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lagerstroemia indica | Lagerstroemia | Lythraceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Verbena officinalis | Verbena | Verbenaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 423.5090000000003
TPSA？: 79.22999999999999
MolLogP？: 4.320800000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|