2,4-Pentadienoic acid, 5-phenyl-
PubChem CID: 1549512
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| Compound Synonyms | 5-Phenylpenta-2,4-dienoic acid, 1552-94-9, (2E,4E)-5-phenylpenta-2,4-dienoic acid, 5-Phenyl-2,4-pentadienoic acid, 28010-12-0, cinnamylideneacetic acid, 2,4-Pentadienoic acid, 5-phenyl-, JUAREZIC ACID, 2,4-Pentadienoicacid, 5-phenyl-, (2E,4E)-, Cinnamalacetic acid, (E,E)-cinnamylideneacetic acid, (4E)-5-phenylpenta-2,4-dienoic acid, (2E,4E)-5-phenyl-2,4-pentadienoic acid, cinnamylidene acetic acid, 185152-35-6, beta-Styrylacrylic acid, 38446-98-9, DTXSID2061771, 5-Phenyl-penta-2,4-dienoic acid, NSC 1778, EINECS 216-298-2, MFCD00014018, NSC 63972, NSC 109408, Spectrum5_000481, Penta-2,4-dienoic acid, 5-phenyl-, (E,E)-, BSPBio_002523, SPECTRUM203008, CHEMBL1095566, DTXCID9034997, 5-Phenylpenta-2,4-diecoic acid, NSC1778, CHEBI:108600, 5-phenyl-penta-2e,4e-dienoic acid, DBA01012, HY-N7129, NSC-1778, NSC50789, CCG-40050, NSC 50789, NSC-50789, s3978, STL570453, 2,4-Pentadienoic acid, 5-phenyl-,, 5-phenylpenta-(2e,4e)-dienoic acid, AKOS000304438, FP70999, SDCCGMLS-0066886.P001, (2E)-5-Phenylpenta-2,4-dienoic acid, NCGC00095798-01, NCGC00095798-02, AS-19080, 2,4-Pentadienoic acid, 5-phenyl- (VAN), DB-160612, (2E,4E)-5-phenyl-penta-2,4-dienoic acid, 2,4-Pentadienoicacid,5-phenyl-,(2E,4E)-, CS-0030694, P2422, F10302, EN300-1709710, EN300-1861098, SR-05000002408, SR-05000002408-1, BRD-K12345912-001-02-3, BRD-K12345912-001-03-1, 1047682-56-3, 216-298-2 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 210.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9NPD5, Q9Y6L6 |
| Iupac Name | (2E,4E)-5-phenylpenta-2,4-dienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C11H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FEIQOMCWGDNMHM-KBXRYBNXSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.181 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.67 |
| Compound Name | 2,4-Pentadienoic acid, 5-phenyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 174.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.048072261538462 |
| Inchi | InChI=1S/C11H10O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-9H,(H,12,13)/b8-4+,9-5+ |
| Smiles | C1=CC=C(C=C1)/C=C/C=C/C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anodendron Affine (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cedrela Salvadorensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Garcinia Cambogia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Hertia Cheirifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Licaria Chrysophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ormosia Hosiei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Ornithoglossum Viride (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Petasites Laevigatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Rubia Tetragona (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Schizanthus Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Sphaeranthus Confertifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all