NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound4-nerolidylcatechol
NPACT-IdNPACT00725
IUPAC4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol
Synonyms4-(1-VINYL-1,5,9-TRIMETHYL-4,8-DECADIENYL)CATECHOL;1,2-Benzenediol, 4-(1-ethenyl-1,5,9-trimethyl-4,8-decadienyl)-;4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol
PubChem Id5352089
ClassOrganic chemical
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZBZZDHDWRSFLAY-GZTJUZNOSA-N
InChi1S/C21H30O2/c1-6-21(5,18-12-13-19(22)20(23)15-18)14-8-11-17(4)10-7-9-16(2)3/h6,9,11-13,15,22-23H,1,7-8,10,14H2,2-5H3/b17-11+
SMILESOc1cc(C(CC/C=C(/CCC=C(C)C)C)(C)C=C)ccc1O
SMART[#6]C([#6])=CCCC([#6])=CCCC([#6])(C=C)C1=CC(O)=C(O)C=C1
CAS No.74683-11-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C110583
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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