NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundSqualene
NPACT-IdNPACT00954
IUPAC(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Synonymstrans-Squalene; Spinacene; Supraene
PubChem Id638072
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYYGNTYWPHWGJRM-AAJYLUCBSA-N
InChi1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
SMILESC(C/C=C(/CCC=C(C)C)C)/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)/C
SMART[H]C(=C(/C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CAS No.111-02-4
Structure
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Cross Refrence in other databases
Super Natural   000111024
CTD   D013185
HIT   -
NCI-60 GI50 data   -
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