NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGarcidepsidone B
NPACT-IdNPACT00594
IUPAC8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,7,9-tetrahydroxy-4-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one
Synonyms-
PubChem Id10814582
ClassSimple aromatic natural products
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLPILTZUCZVFKIO-LICLKQGHSA-N
InChi1S/C28H32O7/c1-15(2)7-6-8-17(5)10-12-18-20(29)13-22-24(26(18)32)28(33)35-27-19(11-9-16(3)4)25(31)21(30)14-23(27)34-22/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+
SMILESO1c2c(c(O)c(C/C=C(/CCC=C(C)C)C)c(O)c2)C(=O)Oc2c(CC=C(C)C)c(O)c(O)cc12
SMART[H]OC1=C([H])C2=C(OC(=O)C3=C(O2)C([H])=C(O[H])C(=C3O[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(=C1O[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H]
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   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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