NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound4-alpha,10-alpha-dihydroxy-3-oxo-8-beta-isobutyryloxyguaia-11(13)-en-12,6-alpha-olide
NPACT-IdNPACT00150
IUPAC[(3aR,4R,6R,6aR,9R,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-2,8-dioxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl]2-methylpropanoate
Synonyms4'-bromoflavone ;4'-Bromo-flavone ;2-(4-Bromophenyl)-4H-1-benzopyran-4-one
PubChem Id11474040
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyDKHQGANNIBTMQA-ISIXXXIXSA-N
InChi1S/C19H26O7/c1-8(2)16(21)25-11-7-18(4,23)10-6-12(20)19(5,24)14(10)15-13(11)9(3)17(22)26-15/h8,10-11,13-15,23-24H,3,6-7H2,1-2,4-5H3/t10-,11-,13-,14+,15+,18-,19+/m1/s1
SMILESO1[C@@H]2[C@@H]3[C@H]([C@](O)(C[C@@H](OC(=O)C(C)C)[C@H]2C(=C)C1=O)C)CC(=O)[C@@]3(O)C
SMART[#6][C@H]([#6])C(=O)O[C@@H]1C[C@@]([#6])(O)[C@@H]2CC(=O)[C@]([#6])(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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