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(-)-Abscisic acid

PubChem CID: 643732

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Compound Synonyms (-)-Abscisic acid, 14398-53-9, (-)-ABA, (R)-abscisic acid, (-)-(R)-Abscisic acid, (R)-(-)-Abscisic acid, (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, (-)-cis,trans-Abscisic acid, (-)-(cis,Trans)-abscisic acid, PBI-145, Abscisic acid, (-)-(2Z,4E)-, ABSCISIC ACID, Abscisic acid (-)-cis,trans-form [MI], UNII-4F7961S98F, 4F7961S98F, 2,4-Pentadienoic acid, 5-((1R)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (2Z,4E)-, (7E,9Z)-(6R)-6-hydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid, (+)-Abscisic acid, (-)-CIS, TRANS-ABSCISIC ACID, 4jda, 2,4-Pentadienoic acid, 5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-, (2Z,4E)-, 21293-29-8, (+)-cis,trans-AbscisicAcid, SCHEMBL11994582, (-)-(2Z,4E)-abscisic acid, CHEBI:28937, JLIDBLDQVAYHNE-QHFMCZIYSA-N, DTXSID701033205, 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (S-(Z,E))-, MSK157481, LMPR0103050008, Q27103973, A3712EE6-19C7-40A5-BDC5-A2BF16B73541, (+)-cis,trans-Abscisic Acid, 2,4-Pentadienoic acid, 5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-, (2Z,4E)-, 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (Z,E)-(-)- (8CI), 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trim, (-)-(cis,trans)-Abscisic acid, (-)-Abscisic acid, (-)-ABA, (R)-abscisic acid, (-)-(R)-Abscisic acid, (2Z,4E)-5-[(1R)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid, 2,4-Pentadienoic acid,5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-,(2Z,4E)-, A9S
Topological Polar Surface Area 74.6
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 494.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Prediction Hob 1.0
Xlogp 1.6
Molecular Formula C15H20O4
Prediction Swissadme 1.0
Inchi Key JLIDBLDQVAYHNE-QHFMCZIYSA-N
Fcsp3 0.4666666666666667
Logs -3.939
Rotatable Bond Count 3.0
Logd 2.859
Compound Name (-)-Abscisic acid
Prediction Hob Swissadme 1.0
Exact Mass 264.136
Formal Charge 0.0
Monoisotopic Mass 264.136
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 264.32
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 2.0
Esol -3.1078406
Inchi InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m0/s1
Smiles CC1=CC(=O)CC([C@@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C
Nring 8.0
Defined Bond Stereocenter Count 2.0