NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
CompoundTaiwaniaquinone A
NPACT-IdNPACT01526
IUPAC(4aS,9R,9aS)-8-hydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluorene-9-carbaldehyde
Synonyms-
PubChem Id15276281
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFNVJTTXDUBERGV-CKBSFLJSSA-N
InChi1S/C20H26O4/c1-10(2)12-15(22)13-11(9-21)18-19(3,4)7-6-8-20(18,5)14(13)17(24)16(12)23/h9-11,18,22H,6-8H2,1-5H3/t11-,18-,20+/m0/s1
SMILESOC1=C(C(=O)C(=O)C2=C1[C@@H]([C@@H]1[C@@]2(CCCC1(C)C)C)C=O)C(C)C
SMART[#6]C([#6])C1=C(O)C2=C(C(=O)C1=O)[C@@]1([#6])CCCC([#6])([#6])[C@@H]1[C@H]2C=O
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C556365
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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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