NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundErythrabissin-1
NPACT-IdNPACT00561
IUPAC(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
SynonymsErythrabyssin I
PubChem Id126540
ClassFlavonoid
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZHPYEBFYLDGZKF-LEWJYISDSA-N
InChi1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/m0/s1
SMILESO1[C@@H]2[C@](O)(c3c1c(c(OC)cc3)CC=C(C)C)COc1c2ccc(O)c1
SMART[#6]OC1=C(CC=C([#6])[#6])C2=C(C=C1)[C@]1(O)COC3=C(C=CC(O)=C3)[C@@H]1O2
CAS No.74515-47-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Ambinter, Therapeutic Targets Database, ZINC, 
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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