NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundCalaustralin
NPACT-IdNPACT01427
IUPAC(7R,8R)-5-hydroxy-7,8-dimethyl-10-(3-methylbut-2-enyl)-4-phenyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione
Synonyms-
PubChem Id21579151
ClassPolycyclic aromatic natural products
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLCHRCBXGRPWRBG-HUUCEWRRSA-N
InChi1S/C25H24O5/c1-13(2)10-11-17-24-20(18(12-19(26)30-24)16-8-6-5-7-9-16)23(28)21-22(27)14(3)15(4)29-25(17)21/h5-10,12,14-15,28H,11H2,1-4H3/t14-,15-/m1/s1
SMILESO1[C@@H]([C@H](C(=O)c2c1c(c1oc(=O)cc(c1c2O)c1ccccc1)CC=C(C)C)C)C
SMART[#6][C@H]1OC2=C(C(=O)[C@@H]1[#6])C(O)=C1C(OC(=O)C=C1C1=CC=CC=C1)=C2CC=C([#6])[#6]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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