General Information of the Compound
| Compound ID |
CP0501459
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4bR,10bS,12aS)-8-hydroxy-9-methoxy-12a-methyl-2,3,4,4a,5,6,10b,11,12,12a-decahydrochrysen-1(4bH)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26O3
|
||||||||||||||||||
| Molecular Weight |
314.425
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCCC4=O)[C@@H]3CCc2cc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26O3/c1-20-9-8-13-14(16(20)4-3-5-19(20)22)7-6-12-10-17(21)18(23-2)11-15(12)13/h10-11,13-14,16,21H,3-9H2,1-2H3/t13-,14+,16-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FBBUVYMNJTXJOH-IDLUEMFASA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound