Molecule

Vobtusine; 18-Oxo

AlkaPlorer ID: AK317830

Synonym: 18-Oxovobtusine, Vobtusine lactone

IUPAC Name: methyl 24'-hydroxy-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=C3C23CCN2CC4(CC5CC67CC(=O)OC6CCN6CCC8(C9=CC=CC(OC)=C9N(C4)C58O)C67)C4OCCC4(C1)C23

InChI: InChI=1S/C43H48N4O7/c1-51-29-9-5-7-27-32(29)47-23-38(18-24-19-40-21-31(48)54-30(40)10-14-45-16-12-42(27,36(40)45)43(24,47)50)22-46-15-11-41-26-6-3-4-8-28(26)44-33(41)25(34(49)52-2)20-39(35(41)46)13-17-53-37(38)39/h3-9,24,30,35-37,44,50H,10-23H2,1-2H3

InChIKey: RWRDIJCXMDTYOZ-UHFFFAOYSA-N

Reference

Biscarpamontamines A and B, an Aspidosperma−Iboga Bisindole Alkaloid and an Aspidosperma−Aspidosperma Bisindole Alkaloid, from <i>Tabernaemontana sphaerocarpa</i>

PubChem CID: 301817

CAS: 19772-81-7

LOTUS: LTS0064179

COCONUT: CNP0263674.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Voacanga grandifolia	Voacanga	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Voacanga africana	Voacanga	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Voacanga thouarsii	Voacanga	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 732.878

TPSA？: 113.04

MolLogP？: 3.689000000000002

Number of H-Donors: 2

Number of H-Acceptors: 11

RingCount: 13

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi