NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound1-alpha,2-alpha,9-beta-Tri-(beta-)furoyloxy-4-beta-hydroxy-15-acetoxy-beta-dihydroagarofuran
NPACT-IdNPACT01440
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBFVLFBBCHZATDA-HYFKCHKLSA-N
InChi1S/C32H34O13/c1-18(33)41-17-31-24(43-26(34)19-9-12-38-16-19)13-20-14-32(31,45-29(20,2)3)30(4,37)15-23(42-27(35)21-7-5-10-39-21)25(31)44-28(36)22-8-6-11-40-22/h5-12,16,20,23-25,37H,13-15,17H2,1-4H3/t20-,23+,24+,25+,30+,31-,32+/m1/s1
SMILES[C@@H]1([C@H]([CH][C@@]([C@]23[C@@]1([C@H](C[C@H]([CH]2)C(C)(O3)C)OC(=O)c1ccoc1)COC(=O)C)(O)C)OC(=O)c1occc1)OC(=O)c1occc1
SMART[H]C1[C@H]2C[C@H](OC(=O)C3=COC=C3)[C@]3(COC([#6])=O)[C@@H](OC(=O)C4=CC=CO4)[C@@H](OC(=O)C4=CC=CO4)C([H])[C@]([#6])(O)[C@@]13O[C@@]2([#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   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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