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Cycloprotobuxine C

AlkaPlorer ID: AK015471

Synonym: '', 'Cycloprotobuxine C'

IUPAC Name: (1S,3R,6S,8R,11S,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-N,7,7,12,16-pentamethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-amine

Structure

SMILES: CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C

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InChI: InChI=1S/C27H48N2/c1-18(29(7)8)19-11-13-25(5)21-10-9-20-23(2,3)22(28-6)12-14-26(20)17-27(21,26)16-15-24(19,25)4/h18-22,28H,9-17H2,1-8H3/t18-,19+,20-,21-,22-,24+,25-,26+,27-/m0/s1

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InChIKey: PLKVWYPBRRRIQG-QGSMACLHSA-N

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Properties Information

Molecule Weight: 400.6950000000003

TPSA？: 15.27

MolLogP？: 5.963600000000007

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 6776.42 nM None
Homo sapiens A498 GI50 20606.3 nM None
Homo sapiens A549 GI50 17418.07 nM None
Homo sapiens ACHN GI50 15631.48 nM None
Homo sapiens BT-549 GI50 12735.03 nM None
Homo sapiens CAKI-1 GI50 21877.62 nM None
Homo sapiens CCRF-CEM GI50 15066.07 nM None
Homo sapiens COLO 205 GI50 12078.14 nM None
Homo sapiens DU-145 GI50 14354.89 nM None
Homo sapiens EKVX GI50 18238.96 nM None
Homo sapiens HCC 2998 GI50 13427.65 nM None
Homo sapiens HCT-116 GI50 11402.5 nM None
Homo sapiens HCT-15 GI50 10715.19 nM None
Homo sapiens HL-60 GI50 10839.27 nM None
Homo sapiens HOP-92 GI50 10864.26 nM None
Homo sapiens Hs-578T GI50 16826.74 nM None
Homo sapiens HT-29 GI50 2851.02 nM None
Homo sapiens IGROV-1 GI50 16826.74 nM None
Homo sapiens KM12 GI50 14962.36 nM None
Homo sapiens LOX IMVI GI50 5321.08 nM None
Homo sapiens M14 GI50 12161.86 nM None
Homo sapiens Malme-3M GI50 17060.82 nM None
Homo sapiens MCF7 GI50 15559.66 nM None
Homo sapiens MDA-MB-231 GI50 21086.28 nM None
Homo sapiens MDA-MB-435 GI50 14125.38 nM None
Homo sapiens MDA-N GI50 13931.57 nM None
Homo sapiens MOLT-4 GI50 16481.62 nM None
Homo sapiens NCI/ADR-RES GI50 18492.69 nM None
Homo sapiens NCI-H226 GI50 16519.62 nM None
Homo sapiens NCI-H23 GI50 15739.83 nM None
Homo sapiens NCI-H322M GI50 16143.59 nM None
Homo sapiens NCI-H460 GI50 18197.01 nM None
Homo sapiens NCI-H522 GI50 17218.69 nM None
Homo sapiens OVCAR-3 GI50 14288.94 nM None
Homo sapiens OVCAR-4 GI50 17660.38 nM None
Homo sapiens OVCAR-5 GI50 20989.4 nM None
Homo sapiens OVCAR-8 GI50 17338.04 nM None
Homo sapiens PC-3 GI50 9078.21 nM None
Homo sapiens RPMI-8226 GI50 12941.96 nM None
Homo sapiens SF-268 GI50 14354.89 nM None
Homo sapiens SF-295 GI50 14621.77 nM None
Homo sapiens SF-539 GI50 11194.38 nM None
Homo sapiens SK-MEL-2 GI50 18030.18 nM None
Homo sapiens SK-MEL-28 GI50 12445.15 nM None
Homo sapiens SK-MEL-5 GI50 15100.8 nM None
Homo sapiens SK-OV-3 GI50 19098.53 nM None
Homo sapiens SN12C GI50 14256.08 nM None
Homo sapiens SNB-19 GI50 16710.91 nM None
Homo sapiens SNB-75 GI50 14387.99 nM None
Homo sapiens SW-620 GI50 15381.55 nM None
Homo sapiens T47D GI50 14621.77 nM None
Homo sapiens TK-10 GI50 18323.14 nM None
Homo sapiens U-251 GI50 13708.82 nM None
Homo sapiens UACC-257 GI50 15100.8 nM None
Homo sapiens UACC-62 GI50 15776.11 nM None
Homo sapiens UO-31 GI50 11939.88 nM None

Metabolism Information