Daurichromenic Acid
PubChem CID: 6475854
Connections displayed (default: 10).
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| Compound Synonyms | Daurichromenic acid, 82003-90-5, (2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-hydroxy-2,7-dimethylchromene-6-carboxylic acid, (S,E)-2-(4,8-Dimethylnona-3,7-dien-1-yl)-5-hydroxy-2,7-dimethyl-2H-chromene-6-carboxylic acid, (2S)-2-((3E)-4,8-dimethylnona-3,7-dienyl)-5-hydroxy-2,7-dimethylchromene-6-carboxylic acid, (+)-Daurichromenic acid, Dauichromenic acid, (+)-Daurichromenic acid, CHEMBL1171643, HY-N3692, BDBM50537945, AKOS040761576, FS-9068, DA-72571, CS-0024072, (2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-hydroxy-2,7-dimethyl-chromene-6-carboxylic acid, (S)-2-((E)-4,8-Dimethyl-nona-3,7-dienyl)-5-hydroxy-2,7-dimethyl-2H-1-benzopyran-6-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 614.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P05067 |
| Iupac Name | (2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-hydroxy-2,7-dimethylchromene-6-carboxylic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT78 |
| Xlogp | 6.7 |
| Molecular Formula | C23H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UYLFTJMQPWWDCW-MVLVPLOLSA-N |
| Fcsp3 | 0.4347826086956521 |
| Logs | -3.322 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.808 |
| Compound Name | Daurichromenic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 370.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.085676244444445 |
| Inchi | InChI=1S/C23H30O4/c1-15(2)8-6-9-16(3)10-7-12-23(5)13-11-18-19(27-23)14-17(4)20(21(18)24)22(25)26/h8,10-11,13-14,24H,6-7,9,12H2,1-5H3,(H,25,26)/b16-10+/t23-/m0/s1 |
| Smiles | CC1=CC2=C(C=C[C@](O2)(C)CC/C=C(\C)/CCC=C(C)C)C(=C1C(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
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