Molecule

Vobtusine

AlkaPlorer ID: AK317823

Synonym: Papuanine

IUPAC Name: methyl 24'-hydroxy-19'-methoxyspiro[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(OC)=C9N(C4)C58O)C67)C4OCCC4(C1)C23

InChI: InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3

InChIKey: IIMPGJMHQMBXKL-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: 301819

CAS: 19772-79-3

LOTUS: LTS0033385

COCONUT: CNP0310741.4

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Voacanga africana	Voacanga	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Callichilia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Voacanga	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 718.8950000000001

TPSA？: 95.97

MolLogP？: 4.1624000000000025

Number of H-Donors: 2

Number of H-Acceptors: 10

RingCount: 13

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi