NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundP-Cymene
NPACT-IdNPACT00846
IUPAC1-methyl-4-propan-2-ylbenzene
SynonymsP-CYMENE;4-Isopropyltoluene;p-Isopropyltoluene;Dolcymene
PubChem Id7463
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHFPZCAJZSCWRBC-UHFFFAOYSA-N
InChi1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
SMILESO([C@H]1C[C@H](CC=C1C)C(=C)C)C(=O)C
SMART[H]C([H])=C(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])=C(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])C1([H])[H]
CAS No.99-87-6
Structure
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Cross Refrence in other databases
Super Natural   000099876
CTD   C007210
HIT   -
NCI-60 GI50 data   -
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Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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