Longicaudatine Z; 17'-Deoxy, 16',17'-didehydro, 19',20'β-dihydro

AlkaPlorer ID: AK251839

Synonym: Dihydrolongicaudatine Y

IUPAC Name: 10-(3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-14-ethylidene-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,9-tetraen-11-ol

Structure

SMILES: CC=C1CN2CCC34C5=CC=CC=C5N5C=C(C6CC7C8=C(CCN7CC6CC)C6=CC=CC=C6N8)C(O)C(C1CC23)C54

copy

InChI: InChI=1S/C38H44N4O/c1-3-22-19-40-15-13-25-24-9-5-7-11-30(24)39-35(25)32(40)17-26(22)28-21-42-31-12-8-6-10-29(31)38-14-16-41-20-23(4-2)27(18-33(38)41)34(36(28)43)37(38)42/h4-12,21-22,26-27,32-34,36-37,39,43H,3,13-20H2,1-2H3

copy

InChIKey: OHSNHDVSHHEKFQ-UHFFFAOYSA-N

copy

Reference

PubChem CID: 162885556

COCONUT: CNP0151971

Source

Properties Information

Molecule Weight: 572.7970000000003

TPSA: 45.74

MolLogP: 6.168500000000007

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information