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Solanocapsine

AlkaPlorer ID: AK017174

Synonym: 'Solanocapsine'

IUPAC Name: (1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20R,22S,24R)-7-amino-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosan-22-ol

Structure

SMILES: C[C@H]1CN[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@]2(O)C1

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InChI: InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1

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InChIKey: ZPTJKUUQUDRHTL-QAQRTNARSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Solanum pseudocapsicum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 430.6770000000003

TPSA？: 67.51

MolLogP？: 4.304000000000004

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 1694.34 nM None
Homo sapiens A498 GI50 141.91 nM None
Homo sapiens A549 GI50 3801.89 nM None
Homo sapiens ACHN GI50 2648.5 nM None
Homo sapiens BT-549 GI50 2187.76 nM None
Homo sapiens CAKI-1 GI50 2371.37 nM None
Homo sapiens CCRF-CEM GI50 561.05 nM None
Homo sapiens COLO 205 GI50 1513.56 nM None
Homo sapiens DU-145 GI50 4027.17 nM None
Homo sapiens EKVX GI50 3341.95 nM None
Homo sapiens HCC 2998 GI50 1798.87 nM None
Homo sapiens HCT-116 GI50 1294.2 nM None
Homo sapiens HCT-15 GI50 1380.38 nM None
Homo sapiens HL-60 GI50 1636.82 nM None
Homo sapiens HOP-92 GI50 2471.72 nM None
Homo sapiens Hs-578T GI50 1914.26 nM None
Homo sapiens HT-29 GI50 1193.99 nM None
Homo sapiens IGROV-1 GI50 2152.78 nM None
Homo sapiens K562 GI50 1914.26 nM None
Homo sapiens KM12 GI50 1905.46 nM None
Homo sapiens LOX IMVI GI50 1733.8 nM None
Homo sapiens M14 GI50 2041.74 nM None
Homo sapiens Malme-3M GI50 1644.37 nM None
Homo sapiens MCF7 GI50 4178.3 nM None
Homo sapiens MDA-MB-231 GI50 1901.08 nM None
Homo sapiens MDA-MB-435 GI50 1595.88 nM None
Homo sapiens MDA-N GI50 1158.78 nM None
Homo sapiens MOLT-4 GI50 1694.34 nM None
Homo sapiens NCI/ADR-RES GI50 2535.13 nM None
Homo sapiens NCI-H226 GI50 2382.32 nM None
Homo sapiens NCI-H23 GI50 12941.96 nM None
Homo sapiens NCI-H322M GI50 2511.89 nM None
Homo sapiens NCI-H460 GI50 2317.39 nM None
Homo sapiens NCI-H522 GI50 2238.72 nM None
Homo sapiens OVCAR-3 GI50 2032.36 nM None
Homo sapiens OVCAR-4 GI50 3749.73 nM None
Homo sapiens OVCAR-5 GI50 5470.16 nM None
Homo sapiens OVCAR-8 GI50 2041.74 nM None
Homo sapiens PC-3 GI50 2786.12 nM None
Homo sapiens RPMI-8226 GI50 2275.1 nM None
Homo sapiens SF-268 GI50 1499.68 nM None
Homo sapiens SF-295 GI50 2924.15 nM None
Homo sapiens SF-539 GI50 1273.5 nM None
Homo sapiens SK-MEL-2 GI50 3061.96 nM None
Homo sapiens SK-MEL-28 GI50 1774.19 nM None
Homo sapiens SK-MEL-5 GI50 3040.89 nM None
Homo sapiens SK-OV-3 GI50 6668.07 nM None
Homo sapiens SN12C GI50 1419.06 nM None
Homo sapiens SNB-19 GI50 2074.91 nM None
Homo sapiens SNB-75 GI50 2437.81 nM None
Homo sapiens SW-620 GI50 2249.05 nM None
Homo sapiens T47D GI50 2228.44 nM None
Homo sapiens TK-10 GI50 2529.3 nM None
Homo sapiens U-251 GI50 1671.09 nM None
Homo sapiens UACC-257 GI50 1849.27 nM None
Homo sapiens UACC-62 GI50 1945.36 nM None
Homo sapiens UO-31 GI50 2249.05 nM None

Metabolism Information