NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound7-hydroxycadallin
NPACT-IdNPACT01390
IUPAC3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol
Synonyms5-Isopropyl-3,8-dimethyl-2-naphthol;3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol;7-Hydroxycadalene;3,8-Dimethyl-5-isopropyl-2-naphthol
PubChem Id608115
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRIWNMJBJRPCUBX-UHFFFAOYSA-N
InChi1S/C15H18O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5-9,16H,1-4H3
SMILESOc1cc2c(c(C(C)C)ccc2C)cc1C
SMART[#6]C([#6])C1=C2C=C([#6])C(O)=CC2=C([#6])C=C1
CAS No.2102-75-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemFrog, Chemical Synthesis Database, 
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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