NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundNymphone
NPACT-IdNPACT00820
IUPAC(2R,3S,4R)-(-)-3-hydroxymethyl-4-(3?,4?,5?-trimethoxybenzoyl)-2-(3?,4?-methylenedioxyphenyl)tetrahydrofuran]
Synonyms-
PubChem Id-
ClassLignans
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHKVASQZMEAEGTN-WAIKUNEKSA-N
InChi1S/C23H26O8/c1-26-19-7-15(8-20(27-2)22(19)28-3)21(25)16-10-29-12-23(16,11-24)9-14-4-5-17-18(6-14)31-13-30-17/h4-8,16,24H,9-13H2,1-3H3/t16-,23-/m1/s1
SMILESc1(c(cc(cc1OC)C(=O)[C@@H]1[C@@](COC1)(CO)Cc1ccc2c(c1)OCO2)OC)OC
SMART[H][C@@]1(COC[C@]1(CO)CC1=CC2=C(OCO2)C=C1)C(=O)C1=CC(O[#6])=C(O[#6])C(O[#6])=C1
CAS No.194026-36-3
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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