NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundArabelline
NPACT-IdNPACT00272
IUPAC(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Synonyms-
PubChem Id-
ClassLignans
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFQMUJJZFGOZSSZ-CCCWDYDVSA-N
InChi1S/C32H34O16/c1-40-18-6-13-14(7-19(18)41-2)29(15-8-42-30(39)23(15)22(13)12-3-4-17-20(5-12)46-11-45-17)48-32-28(38)26(36)25(35)21(47-32)10-44-31-27(37)24(34)16(33)9-43-31/h3-7,16,21,24-28,31-38H,8-11H2,1-2H3/t16-,21+,24-,25+,26-,27+,28+,31-,32-/m0/s1
SMILESc1c(c(cc2c1c(c1COC(=O)c1c2c1ccc2c(c1)OCO2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O)O)O)OC)OC
SMART[#6]OC1=C(O[#6])C=C2C(=C1)C(O[C@@H]1O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)=C1COC(=O)C1=C2C1=CC=C2OCOC2=C1
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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