NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(8 'R)-neochrome
NPACT-IdNPACT01495
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZVKXPPXCNUMUOR-ZALSPFDTSA-N
InChi1S/C40H56O4/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)26-39(35,9)43)15-11-12-16-29(2)19-14-20-31(4)34-23-36-38(7,8)25-33(42)27-40(36,10)44-34/h11-21,23,32-34,41-43H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t22?,32-,33+,34-,39+,4
SMILESC1(C[C@H](C[C@](C1=C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(C)/[C@H]1C=C2[C@](C[C@H](CC2(C)C)O)(C)O1)C)/C)/C)(C)O)O)(C)C
SMARTO[C@@H]1C[C@@]2([#6])O[C@H](C=C2C([#6])([#6])C1)C([#6])=CC=CC([#6])=CC=CC=C(/[#6])C=CC=C(/[#6])C=[C@@]=C1C([#6])([#6])C[C@@H](O)C[C@@]1(O)[#6]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C492072
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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