General Information of the Compound
| Compound ID |
CP0090178
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Show/Hide
|
||||||||||||||||||
| Synonyms |
3,14-Dihydroxycard-20(22)-enolide #
3-beta,14-Dihydroxy-5-alpha-card-20(22)-enolide
3-beta-14-beta-5-Allo-cardenolid
3-beta-14-beta-5-Allo-cardenolid [German]
3beta,14-Dihydroxy-5alpha-card-20(22)-enolide
4-18-00-01470 (Beilstein Handbook Reference)
466-09-1
AC1L3OS7
BC271971
BRN 0095446
CHEMBL109863
DIGITOXIGENIN
EINECS 207-373-0
K9ZR7LI283
MCULE-2541512222
MolPort-006-111-351
NCGC00384854-01
NSC 119993
Odorigeni
SCHEMBL1152953
UNII-K9ZR7LI283
Urarigenin
Uzarigenin
XZTUSOXSLKTKJQ-CIXPXFMPSA-N
ZINC4073972
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H34O4
|
||||||||||||||||||
| Molecular Weight |
374.521
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZTUSOXSLKTKJQ-CESUGQOBSA-N
|
||||||||||||||||||
| CAS |
143-62-4
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| DrugBank 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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8
Clinical Information about the Compound