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Tetradehydrolongicaudatine Y

AlkaPlorer ID: AK069802

Synonym: None

IUPAC Name: (1R,11S,12R,13R,14E,19S,21S)-10-[(2S,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,9-tetraen-11-ol

Structure

SMILES: C/C=C1/CN2CCC3=C(NC4=CC=CC=C34)[C@@H]2C[C@@H]1C1=CN2C3=CC=CC=C3[C@]34CCN5C/C(=C/CO)[C@H](C[C@H]53)[C@@H]([C@@H]1O)[C@H]24

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InChI: InChI=1S/C38H42N4O2/c1-2-22-19-40-14-11-25-24-7-3-5-9-30(24)39-35(25)32(40)17-26(22)28-21-42-31-10-6-4-8-29(31)38-13-15-41-20-23(12-16-43)27(18-33(38)41)34(36(28)44)37(38)42/h2-10,12,21,26-27,32-34,36-37,39,43-44H,11,13-20H2,1H3/b22-2-,23-12-/t26-,27-,32-,33-,34-,36+,37-,38+/m0/s1

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InChIKey: SAOCQHSCOLQBFR-NMWCRYOMSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Strychnos usambarensis Strychnos Loganiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 586.7800000000004

TPSA？: 65.97000000000001

MolLogP？: 5.061000000000007

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Plasmodium falciparum Plasmodium falciparum IC50 958.0 nM 10.1021/np020070e
Plasmodium falciparum Plasmodium falciparum IC50 1236.0 nM 10.1021/np020070e
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1021/np020070e
Plasmodium falciparum Plasmodium falciparum IC90 7970.0 nM 10.1021/np020070e
Plasmodium falciparum Plasmodium falciparum IC90 12087.0 nM 10.1021/np020070e

Metabolism Information