Abscisic acid, (+/-)-(2Z,4E)-
PubChem CID: 5375199
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 14375-45-2, ABSCISIC ACID, (+/-)-Abscisic acid, (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid, Dormin, (RS)-Abscisic acid, (+/-)-(cis,Trans)-abscisic acid, Abscisinsaeure, Abszisinsaeure, PBI-57, acido abscisico, acide abscissique, ( inverted exclamation markA)-Abscisic acid, 3B18Y5RNGK, Abscisic acid, (+/-)-(2Z,4E)-, 2-cis-abscisic acid, (+/-)-Aba, Abscisic acid (+/-)-cis,trans-form [MI], (+)-Abscisic acid, ABSCISIC ACID (cis,trans, +/-), 2,4-pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (2Z,4E)-, DTXSID1030604, CHEBI:22152, 21293-29-8, 2-cis,4-trans-Abscisic acid, ABA, UNII-3B18Y5RNGK, MFCD00066545, 2,4-Pentadienoic acid,5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-,(2Z,4E)-, MFCD00075619, Spectrum5_000342, BSPBio_002916, SPECTRUM1502234, CHEMBL379808, DTXCID9010604, CHEBI:62431, GTPL10362, HMS1921N10, Pharmakon1600-01502234, (+/-)-(2Z,4E)-abscisic acid, (2Z)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid, 2-(cis),4-(trans)-Abscisic acid, HY-N2549, MSK24054, Tox21_201137, CCG-38879, NSC759648, AKOS015903032, AKOS037647713, (+/-)-2-cis-4-trans-Abscisic acid, FA45959, NSC-759648, SDCCGMLS-0066860.P001, (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-enyl)-3-methylpenta-2,4-d ienoic acid, 5-[1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methyl-[2Z,4e]-pentadienoic acid, NCGC00017240-02, NCGC00017240-03, NCGC00017240-04, NCGC00017240-05, NCGC00017240-06, NCGC00017240-07, NCGC00091094-01, NCGC00091094-02, NCGC00091094-03, NCGC00091094-04, NCGC00258689-01, AC-34824, AS-74552, CAS-14375-45-2, A0792, ABSCISIC ACID (+/-)-CIS,TRANS-FORM, CS-0022821, 2-cis,4-trans-Abscisic acid, synthetic, 98%, Q27109429, 13F617B4-6D52-4DAF-ADA1-A7FE2B84E828, (+/-)-Abscisic acid, BioReagent, plant cell culture tested, >=98.5% (HPLC), Abscisic acid, ABSCISIC ACID, (+/-)-Abscisic acid, Dormin, (RS)-Abscisic acid, (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid, (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid, (4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid, (S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid, 5-[(1S)-1-HYDROXY-2,6,6-TRIMETHYL-4-OXO-2-CYCLOHEXEN-1-YL]-3-METHYL-2Z,4E-PENTADIENOIC ACID |
|---|---|
| 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 | 0.0 |
| Uniprot Id | Q9FH76, P16473, P03372, P10275, Q16236, P10145, O42275, P81908, Q9Y6L6, Q9NPD5 |
| Iupac Name | (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT210 |
| Xlogp | 1.6 |
| Molecular Formula | C15H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JLIDBLDQVAYHNE-LXGGSRJLSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -2.465 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.656 |
| Compound Name | Abscisic acid, (+/-)-(2Z,4E)- |
| 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 | -2.2950901999999993 |
| 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- |
| Smiles | CC1=CC(=O)CC(C1(/C=C/C(=C\C(=O)O)/C)O)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Pimpinella Anisum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Prunus Davidiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all