NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundRemangilones A
NPACT-IdNPACT00901
IUPAC(6aR,6bS,7R,8aS,12aR,14aS,14bS)-2,7-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-5,6,7,8a,9,10,12,12a,14,14a-decahydropicene-3,8-dione
Synonyms-
PubChem Id10503181
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYOZREUUANSRXNA-DLJNMMGCSA-N
InChi1S/C28H38O4/c1-15-18-10-12-27(5)21(26(18,4)14-20(29)22(15)30)8-7-19-17-13-25(2,3)11-9-16(17)23(31)24(32)28(19,27)6/h7,14,16-17,21,24,29,32H,8-13H2,1-6H3/t16-,17+,21+,24-,26-,27+,28-/m0/s1
SMILESO[C@@H]1[C@]2([C@]3([C@@H]([C@@]4(C(=C(C(=O)C(=C4)O)C)CC3)C)CC=C2[C@H]2[C@@H](C1=O)CCC(C2)(C)C)C)C
SMART[H]OC1=C([H])[C@]2(C(=C(C1=O)C([H])([H])[H])C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])=C2[C@]3([H])C([H])([H])[C@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])C(=O)[C@]([H])(O[H])[C@@]12C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C119159
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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