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name Structure Reference Source Properties Activities Metabolism

(1S,13S,15S,16S)-15,16-dimethoxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2(10),3,8,17-tetraene

AlkaPlorer ID: AK256194

Synonym: None

IUPAC Name: (1S,13S,15S,16S)-15,16-dimethoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraene

Structure

SMILES: CO[C@H]1C=C2[C@H]3CN(CC4=CC5=C(C=C43)OCO5)[C@H]2C[C@@H]1OC

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InChI: InChI=1S/C18H21NO4/c1-20-15-5-12-13-8-19(14(12)6-16(15)21-2)7-10-3-17-18(4-11(10)13)23-9-22-17/h3-5,13-16H,6-9H2,1-2H3/t13-,14-,15-,16-/m0/s1

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InChIKey: RCRQUNONAXMKLF-VGWMRTNUSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Haemanthus amarylloides Haemanthus Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 315.3690000000001

TPSA？: 40.16

MolLogP？: 2.0568

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 GI50 3000.0 nM 10.1016/j.bmcl.2018.01.041
Homo sapiens Hs 683 GI50 3000.0 nM 10.1016/j.bmcl.2018.01.041
Homo sapiens MCF7 GI50 4000.0 nM 10.1016/j.bmcl.2018.01.041
Homo sapiens SK-MEL-28 GI50 4000.0 nM 10.1016/j.bmcl.2018.01.041
Homo sapiens U373 MG GI50 5000.0 nM 10.1016/j.bmcl.2018.01.041
Mus musculus B16-F10 GI50 3000.0 nM 10.1016/j.bmcl.2018.01.041
None Unchecked Inhibition 80.0 % 10.1016/j.bmcl.2018.01.041
None Unchecked Inhibition nan % 10.1016/j.bmcl.2018.01.041

Metabolism Information