Vobtusine; O-De-Me
AlkaPlorer ID: AK317824
Synonym: 12-Demethylvobtusine, Alkaloid F
IUPAC Name: methyl 19',24'-dihydroxyspiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3C23CCN2CC4(CC5CC67CCOC6CCN6CCC8(C9=CC=CC(O)=C9N(C4)C58O)C67)C4OCCC4(C1)C23
InChI: InChI=1S/C42H48N4O6/c1-50-33(48)25-21-39-13-18-52-36(39)37(22-45-15-10-40(34(39)45)26-5-2-3-7-28(26)43-32(25)40)19-24-20-38-12-17-51-30(38)9-14-44-16-11-41(35(38)44)27-6-4-8-29(47)31(27)46(23-37)42(24,41)49/h2-8,24,30,34-36,43,47,49H,9-23H2,1H3
InChIKey: DRHUYUGRSNMYON-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Voacanga thouarsii | Voacanga | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 704.8680000000002
TPSA？: 106.97
MolLogP？: 3.8594000000000026
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|