Pulvinic acid dilactone
PubChem CID: 72617
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| Compound Synonyms | Pulvinic dilactone, Pulvic dilactone, Pulvinic acid lactone, Pulvinic anhydride, 6273-79-6, 3,6-Diphenylfuro[3,2-b]furan-2,5-dione, Pulvinic acid dilactone, A5UXP3BZU2, Pulvic di-.gamma.-lactone, Furo(3,2-b)furan-2,5-dione, 3,6-diphenyl-, 3,6-Diphenylfuro(3,2-b)furan-2,5-dione, NSC35419, MUCONIC ACID DERIV, UNII-A5UXP3BZU2, NSC 35419, NSC-35419, NSC 119159, NSC-119159, DTXSID40211810, Furo[3,2-b]furan-2,5-dione, 3,6-diphenyl-, NSC119159, Furo[3,5-dione, 3,6-diphenyl-, MUCONIC ACID, 3,4-DIHYDROXY-2,5-DIPHENYL-, DI-.GAMMA.-LACTONE, 2,4-HEXADIENEDIOIC ACID, 3,4-DIHYDROXY-2,5-DIPHENYL-, DI-.GAMMA.-LACTONE, CHEMBL2272213, DTXCID70134301, CHEBI:144212, 3,6-diphenyl-furo[5,4-d]furan-2,5-dione, 3,6-Diphenylfuro[3,2-b]furan-2,5-dione #, MUCONIC ACID, 3,4-DIHYDROXY-2,5-DIPHENYL-, DI-GAMMA-LACTONE, 2,4-HEXADIENEDIOIC ACID, 3,4-DIHYDROXY-2,5-DIPHENYL-, DI-GAMMA-LACTONE |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6-diphenylfuro[3,2-b]furan-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C18H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KQTXUHHOWJUFOZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.063 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.471 |
| Compound Name | Pulvinic acid dilactone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 290.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.788735163636364 |
| Inchi | InChI=1S/C18H10O4/c19-17-13(11-7-3-1-4-8-11)15-16(22-17)14(18(20)21-15)12-9-5-2-6-10-12/h1-10H |
| Smiles | C1=CC=C(C=C1)C2=C3C(=C(C(=O)O3)C4=CC=CC=C4)OC2=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dysoxylum Acutangulum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Erythroxylum Cuneatum (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Iris Spuria (Plant) Rel Props:Source_db:npass_chem_all