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Amarbellisine

AlkaPlorer ID: AK003142

Synonym: None

IUPAC Name: (1S,15S,18S,19S)-17-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,16-tetraen-18-ol

Structure

SMILES: COC1=C[C@@H]2CCN3CC4=CC5=C(C=C4[C@@H]([C@H]23)[C@@H]1O)OCO5

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InChI: InChI=1S/C17H19NO4/c1-20-14-4-9-2-3-18-7-10-5-12-13(22-8-21-12)6-11(10)15(16(9)18)17(14)19/h4-6,9,15-17,19H,2-3,7-8H2,1H3/t9-,15-,16-,17+/m0/s1

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InChIKey: FKVRMQNEWFZVGO-VHYHWGNDSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Amaryllis belladonna Amaryllis Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 301.3420000000001

TPSA？: 51.16000000000001

MolLogP？: 1.6077999999999997

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli Escherichia coli IZ 22.0 mm 10.1016/j.bmcl.2017.09.052
Homo sapiens A549 IC50 7200.0 nM 10.1021/jm901031h
Homo sapiens A549 IC50 7200.0 nM 10.1021/np9008255
Homo sapiens NHDF IC50 100000.0 nM 10.1021/jm901031h
Homo sapiens SK-MEL IC50 8300.0 nM 10.1021/np9008255
Homo sapiens SK-MEL-28 IC50 8300.0 nM 10.1021/jm901031h
Mus musculus B16-F10 IC50 6700.0 nM 10.1021/jm901031h
Mus musculus B16-F10 IC50 6700.0 nM 10.1021/np9008255
Staphylococcus aureus Staphylococcus aureus IZ 22.0 mm 10.1016/j.bmcl.2017.09.052
None ADMET IC50 97600.0 nM 10.1021/jm901031h
None ADMET IC50 100000.0 nM 10.1021/jm901031h
None NON-PROTEIN TARGET IC50 6700.0 nM 10.1021/jm901031h
None NON-PROTEIN TARGET IC50 6700.0 nM 10.1021/np9008255
None NON-PROTEIN TARGET IC50 7200.0 nM 10.1021/np9008255
None NON-PROTEIN TARGET IC50 7300.0 nM 10.1021/jm901031h
None NON-PROTEIN TARGET IC50 8200.0 nM 10.1021/np9008255
None NON-PROTEIN TARGET IC50 8300.0 nM 10.1021/jm901031h

Metabolism Information