U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H22O4
Molecular Weight 254.3221
Optical Activity ( + )
Defined Stereocenters 4 / 4
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of PALITANTIN, (+)-

SMILES

CCC\C=C\C=C\[C@@H]1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO

InChI

InChIKey=MPOXQBRZHHNMER-XZQMCIKJSA-N
InChI=1S/C14H22O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h4-7,10-12,14-16,18H,2-3,8-9H2,1H3/b5-4+,7-6+/t10-,11+,12-,14-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PALITANTIN, (+)-
Common Name English
CYCLOHEXANONE, 3-(1E,3E)-1,3-HEPTADIEN-1-YL-5,6-DIHYDROXY-2-(HYDROXYMETHYL)-, (2R,3S,5R,6R)-
Systematic Name English
(2R,3S,5R,6R)-3-(1E,3E)-1,3-HEPTADIEN-1-YL-5,6-DIHYDROXY-2-(HYDROXYMETHYL)CYCLOHEXANONE
Common Name English
CYCLOHEXANONE, 3-(1,3-HEPTADIENYL)-5,6-DIHYDROXY-2-(HYDROXYMETHYL)-, (2R-(2.ALPHA.,3.BETA.(1E,3E),5.ALPHA.,6.ALPHA.))-
Common Name English
(+)-PALITANTIN
Common Name English
CYCLOHEXANONE, 3-(1E,3E)-1,3-HEPTADIENYL-5,6-DIHYDROXY-2-(HYDROXYMETHYL)-, (2R,3S,5R,6R)-
Common Name English
Code System Code Type Description
PUBCHEM
6438427
Created by admin on Sat Dec 16 00:25:38 UTC 2023 , Edited by admin on Sat Dec 16 00:25:38 UTC 2023
PRIMARY
FDA UNII
05D54KLN3M
Created by admin on Sat Dec 16 00:25:38 UTC 2023 , Edited by admin on Sat Dec 16 00:25:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID60161262
Created by admin on Sat Dec 16 00:25:38 UTC 2023 , Edited by admin on Sat Dec 16 00:25:38 UTC 2023
PRIMARY
CAS
140224-89-1
Created by admin on Sat Dec 16 00:25:38 UTC 2023 , Edited by admin on Sat Dec 16 00:25:38 UTC 2023
PRIMARY