Molecule

Obscurinervine

AlkaPlorer ID: AK308319

Synonym: None

IUPAC Name: 17-ethyl-21,22-dimethoxy-12,19-dioxa-5,16-diazaheptacyclo[14.7.1.12,5.02,15.09,13.020,24.09,25]pentacosa-1(23),7,20(24),21-tetraen-11-one

Structure

SMILES: CCC1COC2=C(OC)C(OC)=CC3=C2N1C1CC2OC(=O)CC24C=CCN2CCC31C24

InChI: InChI=1S/C25H30N2O5/c1-4-14-13-31-22-20-15(10-16(29-2)21(22)30-3)25-7-9-26-8-5-6-24(23(25)26)12-19(28)32-18(24)11-17(25)27(14)20/h5-6,10,14,17-18,23H,4,7-9,11-13H2,1-3H3

InChIKey: BCNQBLDOHDCWRS-UHFFFAOYSA-N

Reference

Alkaloid Studies. XLVI.1 The Alkaloids of Aspidosperma obscurinervium Azembuja. A New Class of Heptacyclic Indole Alkaloids2

PubChem CID: 634890

CAS: 7097-00-9

LOTUS: LTS0261327

COCONUT: CNP0331436.2

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Aspidosperma	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspidosperma desmanthum	Aspidosperma	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Aspidosperma	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 438.5240000000003

TPSA？: 60.47

MolLogP？: 2.650900000000001

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi