Fuscin
PubChem CID: 54682467
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Fuscin, 83-85-2, UNII-0J373729M0, 5-hydroxy-4,8,8-trimethyl-9,10-dihydro-4H-pyrano[4,3-f]chromene-2,6-dione, FUSCIN [MI], 0J373729M0, DTXSID80874665, 9,10-Dihydro-5-hydroxy-4,8,8-trimethyl-2-H,4-H-benzo(1,2-b-4,3-c)-dipyran-2,6(8H)-dione, 2H,4H-Benzo(1,2-b:4,3-c')dipyran-2,6(8H)-dione, 9,10-dihydro-5-hydroxy-4,8,8-trimethyl-, 3,4,7,9-Tetrahydroxy-6-methyl-1H-phenalen-1-one, 9,10-DIHYDRO-5-HYDROXY-4,8,8-TRIMETHYL-2H,4H-BENZO(1,2-B:4,3-C)DIPYRAN-2,6(8H)-DIONE, 5-hydroxy-4,8,8-trimethyl-9,10-dihydro-4H-pyrano(4,3-f)chromene-2,6-dione, SCHEMBL2134460, DTXCID801012791, HB3905, AKOS040755999, DA-63642, HY-111321, CS-0034945, Q27236847, 2-Hydroxy-4,8,8-trimethyl-9,10-dihydro-4H-pyrano[3,2-f]isochromene-5,6-dione, 5-hydroxy-4,8,8-trimethyl-2H,4H,6H,8H,9H,10H-pyrano[3,2-f]isochromene-2,6-dione |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CC(C)C3CCCCC3C2C1 |
| Np Classifier Class | Isocoumarins |
| Deep Smiles | O=COCC)C=CO)C=O)C=CC6=C%10))CCCO6)C)C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Pyrans |
| Scaffold Graph Node Level | OC1CC2C(CO1)CC(O)C1OCCCC21 |
| Classyfire Subclass | Pyranones and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 618.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P51681 |
| Iupac Name | 5-hydroxy-4,8,8-trimethyl-9,10-dihydro-4H-pyrano[4,3-f]chromene-2,6-dione |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H16O5 |
| Scaffold Graph Node Bond Level | O=C1C=C2C(=CC(=O)C3=C2CCCO3)CO1 |
| Inchi Key | OSJKAGRXDVEZQO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | defuscin |
| Esol Class | Soluble |
| Functional Groups | COC1=C(C)C2=CC(=O)OCC2=C(O)C1=O |
| Compound Name | Fuscin |
| Exact Mass | 276.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 276.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H16O5/c1-7-11-9(6-10(16)19-7)8-4-5-15(2,3)20-14(8)13(18)12(11)17/h6-7,17H,4-5H2,1-3H3 |
| Smiles | CC1C2=C(C(=O)C3=C(C2=CC(=O)O1)CCC(O3)(C)C)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Coumarins |
- 1. Outgoing r'ship
FOUND_INto/from Agrimonia Pilosa (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729 - 2. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Reference:ISBN:9788185042145