NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundisoverbascoside
NPACT-IdNPACT01503
IUPAC[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl](E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Synonyms.beta.-D-Glucopyranoside,4-dihydroxyphenyl)ethyl-3-O-(6-deoxy-.alpha.-L- mannopyranosyl)-, 4-[3-(3,4-dihydroxyphenyl)-2- propenoate]; (E)-;[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
PubChem Id5459010
ClassCarbohydrates
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFBSKJMQYURKNSU-QPJJXVBHSA-N
InChi1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+
SMILESO(C1C(OC(=O)/C=C/c2cc(O)c(O)cc2)C(OC(OCCc2cc(O)c(O)cc2)C1O)CO)C1OC(C(O)C(O)C1O)C
SMART[#6]C1OC(OC2C(O)C(OCCC3=CC(O)=C(O)C=C3)OC(CO)C2OC(=O)C=CC2=CC(O)=C(O)C=C2)C(O)C(O)C1O
CAS No.61276-17-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C117921
HIT   -
NCI-60 GI50 data   61276-17-3
Suppliers ABI Chem, 
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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