Vobtusine; 14'-Epimer, 18-oxo, 12-demethoxy
AlkaPlorer ID: AK317827
Synonym: Voacandimine B
IUPAC Name: methyl 24'-hydroxy-9'-oxospiro[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-18,20,22-triene]-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3C23CCN2CC4(CC5CC67CC(=O)OC6CCN6CCC8(C9=CC=CC=C9N(C4)C58O)C67)C4OCCC4(C1)C23
InChI: InChI=1S/C42H46N4O6/c1-50-33(48)25-20-38-13-17-51-36(38)37(22-45-15-11-40(34(38)45)26-6-2-4-8-28(26)43-32(25)40)18-24-19-39-21-31(47)52-30(39)10-14-44-16-12-41(35(39)44)27-7-3-5-9-29(27)46(23-37)42(24,41)49/h2-9,24,30,34-36,43,49H,10-23H2,1H3
InChIKey: PWOSFTBRTSGIBB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Voacanga africana | Voacanga | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 702.8520000000001
TPSA？: 103.81
MolLogP？: 3.6804000000000014
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|