9cUAB30
(2E,4E,6Z,8E)-8-(3,4-dihydro-2H-naphthalen-1-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid
Molecular Identity
9cUAB30
(2E,4E,6Z,8E)-8-(3,4-dihydro-2H-naphthalen-1-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid
PubChem CID: 9904203
2D Structure
Properties
C20H22O2
Molecular Formula
294.40
Molecular Weight
g/mol
294.1620
Exact Mass
Da
5.5
XLogP
Above Lipinski threshold
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
520
Complexity
SMILES
Canonical SMILES
SMILES: CC(=CC(=O)O)C=CC=C(C)C=C1CCCC2=CC=CC=C21Isomeric SMILES
SMILES: C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCC2=CC=CC=C21Synonyms(20)
Retinoid 9CUAB309cUAB30UAB-30(9Z)-UAB-30(9Z)-UAB30PFP09575EX205252-57-92,4,6-Octatrienoic acid, 8-(3,4-dihydro-1(2H)-naphthalenylidene)-3,7-dimethyl-, (2E,4e,6Z,8E)-RefChem:108233(2E,4E,6Z)-3,7-dimethyl-8-((1E)-1,2,3,4-tetrahydronaphthalen-1-ylidene)octa-2,4,6-trienoic acidUab309-cis-UAB30UNII-PFP09575EX(9Z)-UAB- 0(2E,4E,6Z,8E)-8-(3,4-dihydro-2H-naphthalen-1-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid
Data from PubChem (NCBI)
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