Longicaudatine Z; 17'-Deoxy, 3-hydroxy, 16',17'-didehydro

AlkaPlorer ID: AK304616

Synonym: 3-Hydroxylongicaudatine Y

IUPAC Name: 14-ethylidene-10-(3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,9-tetraene-11,19-diol

Structure

SMILES: CC=C1CN2CCC3=C(NC4=CC=CC=C34)C2CC1C1=CN2C3=CC=CC=C3C34CCN5CC(=CC)C(CC53O)C(C1O)C24

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InChI: InChI=1S/C38H42N4O2/c1-3-22-19-40-15-13-25-24-9-5-7-11-30(24)39-34(25)32(40)17-26(22)28-21-42-31-12-8-6-10-29(31)37-14-16-41-20-23(4-2)27(18-38(37,41)44)33(35(28)43)36(37)42/h3-12,21,26-27,32-33,35-36,39,43-44H,13-20H2,1-2H3

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InChIKey: HFRZFMZGJAFAHF-UHFFFAOYSA-N

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Reference

PubChem CID: 163012747

COCONUT: CNP0288153.1

Source

Properties Information

Molecule Weight: 586.7800000000005

TPSA: 65.97000000000001

MolLogP: 5.408600000000007

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information