NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundSpathulenol
NPACT-IdNPACT01323
IUPAC-
Synonyms1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1a.alpha.,4a.alpha.,7.beta.,7a.beta.,7b.alpha.)]-;6750-60-3;(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidenedecahydro-1H-cyclopropa[e]azulen-7-ol;
PubChem Id522266
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFRMCCTDTYSRUBE-UHFFFAOYSA-N
InChi1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3
SMILESOC1(C2C3C(C3CCC(=C)C2CC1)(C)C)C
SMART[H]O[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]2([H])C(=C(/[H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@]([H])([C@]12[H])[C@@]3(C([H])([H])[H])C([H])([H])[H]
CAS No.6750-60-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C013258
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemFrog, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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