Vobtusine; 18-Oxo, 3'α-hydroxy
AlkaPlorer ID: AK317834
Synonym: 3'-Hydroxy-18-oxovobtusine, 3'-Hydroxyvobtusine lactone, Biscarpamontamine B
IUPAC Name: methyl 18,24'-dihydroxy-19'-methoxy-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(23),19,21-triene]-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3C23CCN2C(O)C4(CC5CC67CC(=O)OC6CCN6CCC8(C9=CC=CC(OC)=C9N(C4)C58O)C67)C4OCCC4(C1)C23
InChI: InChI=1S/C43H48N4O8/c1-52-28-9-5-7-26-31(28)47-22-40(19-23-18-39-21-30(48)55-29(39)10-14-45-15-12-42(26,35(39)45)43(23,47)51)36-38(13-17-54-36)20-24(33(49)53-2)32-41(11-16-46(34(38)41)37(40)50)25-6-3-4-8-27(25)44-32/h3-9,23,29,34-37,44,50-51H,10-22H2,1-2H3
InChIKey: OAWSGPFBYAPTDU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana sphaerocarpa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 748.8770000000002
TPSA？: 133.27
MolLogP？: 3.0074000000000005
Number of H-Donors: 3
Number of H-Acceptors: 12
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|