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name Structure Reference Source Properties Activities Metabolism

Tylophorinine

AlkaPlorer ID: AK003620

Synonym: None

IUPAC Name: (13aS,14R)-3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol

Structure

SMILES: COC1=CC=C2C3=C(CN4CCC[C@H]4[C@@H]3O)C3=CC(OC)=C(OC)C=C3C2=C1

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InChI: InChI=1S/C23H25NO4/c1-26-13-6-7-14-15(9-13)16-10-20(27-2)21(28-3)11-17(16)18-12-24-8-4-5-19(24)23(25)22(14)18/h6-7,9-11,19,23,25H,4-5,8,12H2,1-3H3/t19-,23-/m0/s1

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InChIKey: LAWAARLALKUFQQ-CVDCTZTESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Tylophora asthmatica Tylophora Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 379.4560000000001

TPSA？: 51.16000000000001

MolLogP？: 4.030200000000003

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 56.49 nM None
Homo sapiens A498 GI50 49.43 nM None
Homo sapiens A549 GI50 57.41 nM None
Homo sapiens ACHN GI50 59.43 nM None
Homo sapiens BT-549 GI50 493.17 nM None
Homo sapiens CAKI-1 GI50 55.72 nM None
Homo sapiens CCRF-CEM GI50 35.89 nM None
Homo sapiens COLO 205 GI50 38.99 nM None
Homo sapiens DU-145 GI50 64.71 nM None
Homo sapiens EKVX GI50 10.0 nM None
Homo sapiens HCC 2998 GI50 51.52 nM None
Homo sapiens HCT-116 GI50 44.46 nM None
Homo sapiens HCT-15 GI50 59.84 nM None
Homo sapiens HepG2 Activity nan None 10.1016/j.bmcl.2007.05.021
Homo sapiens HepG2 GI50 20.0 nM 10.1016/j.bmcl.2007.05.021
Homo sapiens HOP-62 GI50 58.75 nM None
Homo sapiens HOP-92 GI50 59.29 nM None
Homo sapiens Hs-578T GI50 44.06 nM None
Homo sapiens HT-29 GI50 28.91 nM None
Homo sapiens IGROV-1 GI50 50.82 nM None
Homo sapiens K562 GI50 42.17 nM None
Homo sapiens KM12 GI50 37.07 nM None
Homo sapiens LOX IMVI GI50 10.0 nM None
Homo sapiens M14 GI50 52.36 nM None
Homo sapiens Malme-3M GI50 248.89 nM None
Homo sapiens MCF7 GI50 62.23 nM None
Homo sapiens MDA-MB-231 GI50 48.87 nM None
Homo sapiens MDA-MB-435 GI50 58.08 nM None
Homo sapiens MDA-N GI50 40.36 nM None
Homo sapiens MOLT-4 GI50 31.77 nM None
Homo sapiens NCI/ADR-RES GI50 359.75 nM None
Homo sapiens NCI-H226 GI50 270.4 nM None
Homo sapiens NCI-H23 GI50 56.75 nM None
Homo sapiens NCI-H322M GI50 55.59 nM None
Homo sapiens NCI-H460 GI50 47.42 nM None
Homo sapiens NCI-H522 GI50 290.4 nM None
Homo sapiens OVCAR-3 GI50 65.46 nM None
Homo sapiens OVCAR-4 GI50 223.87 nM None
Homo sapiens OVCAR-5 GI50 52.12 nM None
Homo sapiens OVCAR-8 GI50 57.28 nM None
Homo sapiens PANC-1 GI50 11.0 nM 10.1016/j.bmcl.2007.05.021
Homo sapiens PC-3 GI50 56.62 nM None
Homo sapiens Proto-oncogene c-JUN IC50 110.0 nM 10.1016/j.bmcl.2007.05.021
Homo sapiens RPMI-8226 GI50 67.61 nM None
Homo sapiens RXF 393 GI50 58.61 nM None
Homo sapiens SF-268 GI50 45.29 nM None
Homo sapiens SF-295 GI50 50.0 nM None
Homo sapiens SF-539 GI50 252.93 nM None
Homo sapiens SK-MEL-2 GI50 53.95 nM None
Homo sapiens SK-MEL-28 GI50 61.94 nM None
Homo sapiens SK-MEL-5 GI50 63.53 nM None
Homo sapiens SK-OV-3 GI50 73.28 nM None
Homo sapiens SN12C GI50 20.14 nM None
Homo sapiens SNB-19 GI50 10.0 nM None
Homo sapiens SNB-75 GI50 63.83 nM None
Homo sapiens SR GI50 44.26 nM None
Homo sapiens SW-620 GI50 53.58 nM None
Homo sapiens T47D GI50 40.36 nM None
Homo sapiens TK-10 GI50 61.24 nM None
Homo sapiens U-251 GI50 54.2 nM None
Homo sapiens UACC-257 GI50 52.36 nM None
Homo sapiens UACC-62 GI50 48.19 nM None
Homo sapiens UO-31 GI50 57.81 nM None
None Unchecked IC50 12.0 nM 10.1016/j.bmcl.2007.05.021
None Unchecked IC50 80.0 nM 10.1016/j.bmcl.2007.05.021

Metabolism Information