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name Structure Reference Source Properties Activities Metabolism

Haemanthamine

AlkaPlorer ID: AK001682

Synonym: None

IUPAC Name: (1S,13S,15S,18S)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol

Structure

SMILES: CO[C@@H]1C=C[C@@]23C4=CC5=C(C=C4CN(C[C@H]2O)[C@H]3C1)OCO5

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InChI: InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16-,17+/m1/s1

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InChIKey: YGPRSGKVLATIHT-BEMMVCDISA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Reticularia lycoperdon Reticularia Reticulariaceae Liceales Eumycetozoa Evosea None Eukaryota
Lindera chunii Lindera Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pittosporum eugenioides Pittosporum Pittosporaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Stachys aegyptiaca Stachys Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ferula persica Ferula Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pteroxygonum giraldii Pteroxygonum Polygonaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Salvia keerlii Salvia Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dioscorea bulbifera Dioscorea Dioscoreaceae Dioscoreales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nasutitermes triodiae Nasutitermes Termitidae Blattodea Insecta Arthropoda Metazoa Eukaryota
Actaea heracleifolia Actaea Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ligularia przewalskii Ligularia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None None Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Stereocaulon dactylophyllum Stereocaulon Stereocaulaceae Lecanorales Lecanoromycetes Ascomycota Fungi Eukaryota
Erythropodium caribaeorum Erythropodium Alcyoniidae Malacalcyonacea Anthozoa Cnidaria Metazoa Eukaryota
Cortinarius armillatus Cortinarius Cortinariaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota

Properties Information

Molecule Weight: 301.34200000000004

TPSA？: 51.16000000000001

MolLogP？: 1.1866999999999996

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 IC50 4500.0 nM 10.1021/np9008255
Homo sapiens BJ IC50 2700.0 nM 10.1016/j.bmcl.2012.08.005
Homo sapiens CCRF-CEM IC50 2100.0 nM 10.1016/j.bmcl.2012.08.005
Homo sapiens G-361 IC50 3700.0 nM 10.1016/j.bmcl.2012.08.005
Homo sapiens HeLa IC50 7000.0 nM 10.1016/j.bmcl.2012.08.005
Homo sapiens K562 IC50 3400.0 nM 10.1016/j.bmcl.2012.08.005
Homo sapiens MCF7 IC50 8100.0 nM 10.1016/j.bmcl.2012.08.005
Homo sapiens SK-MEL IC50 8500.0 nM 10.1021/np9008255
Mus musculus B16-F10 IC50 6800.0 nM 10.1021/np9008255
Plasmodium falciparum Plasmodium falciparum IC50 1300.0 nM 10.1016/j.bmc.2012.07.036
None NON-PROTEIN TARGET IC50 6800.0 nM 10.1021/np9008255
None NON-PROTEIN TARGET IC50 7000.0 nM 10.1021/np9008255
None NON-PROTEIN TARGET IC50 7700.0 nM 10.1021/np9008255
None Unchecked Activity 90.0 % 10.1016/j.bmcl.2012.08.005
None Unchecked ED50 15.0 uM 10.1016/j.bmcl.2012.08.005

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014744 C[SAH].O[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2O)[C@H]3C1)OCO5>>CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2O)[C@H]3C1)OCO5 RXN-18141