NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound(2,4-cis and trans)-gigantecinone
NPACT-IdNPACT00009
IUPAC(5R)-5-[5-[(2R,5S)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]butyl]oxolan-2-yl]pentyl]-3-(2-oxopropyl)oxolan-2-one
Synonyms-
PubChem Id10627889
ClassPolyketides
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySIKLPUJCNJTZFZ-YUECQCAUSA-N
InChi1S/C37H66O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-29(43-34)16-13-12-14-17-30-26-28(25-27(2)38)37(42)44-30/h28-36,39-41H,3-26H2,1-2H3/t28?,29-,30-,31-,32+,33-,34+,35-,36-/m1/s1
SMILESO1[C@H](CC[C@@H]1[C@H](O)CCCCCCCCCCCC)[C@H](O)CC[C@H](O)[C@H]1O[C@@H](CC1)CCCCC[C@H]1OC(=O)[C@H](C1)CC(=O)C
SMART[H]O[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]1([H])O[C@]([H])(C([H])([H])C1([H])[H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]1([H])O[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])OC(=O)[C@@]([H])(C([H])([H])C(=O)C([H])([H])[H])C2([H])[H])C([H])([H])C1([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   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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