Vobtusine; 3'-Oxo, 2-deoxy
AlkaPlorer ID: AK317831
Synonym: 2-Deoxy-3'-oxovobtusine, 2-Deoxyvobtusine lactam, Alkaloid D
IUPAC Name: methyl 19'-methoxy-18-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(CC5CC67CCOC6CCN6CCC8(C9=CC=CC(OC)=C9N(C4)C58)C67)C4OCCC4(C1)C23
InChI: InChI=1S/C43H48N4O6/c1-50-29-9-5-7-27-31(29)47-23-41(21-24-20-39-13-18-52-30(39)10-15-45-16-11-43(27,33(24)47)35(39)45)37-40(14-19-53-37)22-25(34(48)51-2)32-42(12-17-46(36(40)42)38(41)49)26-6-3-4-8-28(26)44-32/h3-9,24,30,33,35-37,44H,10-23H2,1-2H3
InChIKey: IYMMWFASWLEBMO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Voacanga thouarsii | Voacanga | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 716.8790000000001
TPSA？: 92.81
MolLogP？: 4.369000000000003
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|