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9-Methoxycamptothecin

AlkaPlorer ID: AK015482

Synonym: ''

IUPAC Name: (19S)-19-ethyl-19-hydroxy-8-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

Structure

SMILES: CC[C@@]1(O)C(=O)OCC2=C1C=C1C3=NC4=CC=CC(OC)=C4C=C3CN1C2=O

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InChI: InChI=1S/C21H18N2O5/c1-3-21(26)14-8-16-18-11(7-12-15(22-18)5-4-6-17(12)27-2)9-23(16)19(24)13(14)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1

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InChIKey: XVMZDZFTCKLZTF-NRFANRHFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Fusarium solani Fusarium Nectriaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 378.3840000000002

TPSA？: 90.65

MolLogP？: 2.0882

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis Activity nan None 10.1021/np50049a003
Escherichia coli Escherichia coli Activity nan None 10.1021/np50049a003
Homo sapiens 786-0 GI50 210.86 nM None
Homo sapiens A2780 IC50 0.02 ug.mL-1 10.1021/np050351x
Homo sapiens A498 GI50 599.79 nM None
Homo sapiens A549 GI50 115.88 nM None
Homo sapiens ACHN GI50 100.0 nM None
Homo sapiens BT-549 GI50 4943.11 nM None
Homo sapiens CAKI-1 GI50 100.0 nM None
Homo sapiens CCRF-CEM GI50 10.0 nM None
Homo sapiens COLO 205 GI50 1207.81 nM None
Homo sapiens DLD-1 GI50 269.77 nM None
Homo sapiens DMS-114 GI50 10.0 nM None
Homo sapiens DMS-273 GI50 10.0 nM None
Homo sapiens DU-145 GI50 1000.0 nM None
Homo sapiens EKVX GI50 2041.74 nM None
Homo sapiens HCC 2998 GI50 3845.92 nM None
Homo sapiens HCT-116 GI50 134.28 nM None
Homo sapiens HCT-15 GI50 805.38 nM None
Homo sapiens HL-60 GI50 10.0 nM None
Homo sapiens HOP-18 GI50 42.46 nM None
Homo sapiens HOP-62 GI50 100.0 nM None
Homo sapiens HOP-92 GI50 43.25 nM None
Homo sapiens Hs-578T GI50 12764.39 nM None
Homo sapiens HT-29 GI50 404.58 nM None
Homo sapiens IGROV-1 GI50 466.66 nM None
Homo sapiens K562 GI50 171.4 nM None
Homo sapiens KB ED50 0.17 ug ml-1 10.1021/np50005a006
Homo sapiens KM12 GI50 866.96 nM None
Homo sapiens KM-20L2 GI50 62.23 nM None
Homo sapiens LOX IMVI GI50 100.0 nM None
Homo sapiens LXFL 529 GI50 492.04 nM None
Homo sapiens M14 GI50 199.53 nM None
Homo sapiens M19-MEL GI50 55.98 nM None
Homo sapiens Malme-3M GI50 348.34 nM None
Homo sapiens MCF7 GI50 1000.0 nM None
Homo sapiens MDA-MB-231 GI50 6011.74 nM None
Homo sapiens MDA-MB-435 GI50 233.35 nM None
Homo sapiens MDA-N GI50 1000.0 nM None
Homo sapiens MOLT-4 GI50 139.96 nM None
Homo sapiens NCI/ADR-RES GI50 1671.09 nM None
Homo sapiens NCI-H226 GI50 266.69 nM None
Homo sapiens NCI-H23 GI50 100.0 nM None
Homo sapiens NCI-H322M GI50 794.33 nM None
Homo sapiens NCI-H460 GI50 100.0 nM None
Homo sapiens NCI-H522 GI50 144.88 nM None
Homo sapiens OVCAR-3 GI50 521.19 nM None
Homo sapiens OVCAR-4 GI50 1059.25 nM None
Homo sapiens OVCAR-5 GI50 416.87 nM None
Homo sapiens OVCAR-8 GI50 132.13 nM None
Homo sapiens PC-3 GI50 1531.09 nM None
Homo sapiens RPMI-8226 GI50 15.81 nM None
Homo sapiens RXF 393 GI50 307.61 nM None
Homo sapiens RXF 631 GI50 62.81 nM None
Homo sapiens SF-268 GI50 100.0 nM None
Homo sapiens SF-295 GI50 100.0 nM None
Homo sapiens SF-539 GI50 100.0 nM None
Homo sapiens SK-MEL-2 GI50 833.68 nM None
Homo sapiens SK-MEL-28 GI50 1244.51 nM None
Homo sapiens SK-MEL-5 GI50 116.41 nM None
Homo sapiens SK-OV-3 GI50 117.22 nM None
Homo sapiens SN12C GI50 100.0 nM None
Homo sapiens SNB-19 GI50 100.0 nM None
Homo sapiens SNB-75 GI50 62.23 nM None
Homo sapiens SNB-78 GI50 1071.52 nM None
Homo sapiens SR GI50 100.0 nM None
Homo sapiens SW-620 GI50 196.34 nM None
Homo sapiens T47D GI50 19.45 nM None
Homo sapiens TK-10 GI50 3741.11 nM None
Homo sapiens U-251 GI50 100.0 nM None
Homo sapiens UACC-257 GI50 558.47 nM None
Homo sapiens UACC-62 GI50 100.0 nM None
Homo sapiens UO-31 GI50 101.39 nM None
Homo sapiens XF498 GI50 94.19 nM None
Mus musculus P388 ED50 0.53 ug ml-1 10.1021/np50005a006

Metabolism Information