Citromycetin
PubChem CID: 65029
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| Compound Synonyms | Citromycetin, 478-60-4, Frequentic acid, 8,9-dihydroxy-2-methyl-4-oxo-5H-pyrano[3,2-c]chromene-10-carboxylic acid, UNII-6LQ9JP1YA7, 6LQ9JP1YA7, NSC 53584, BRN 0330020, NSC53584, CITROMYCETIN [MI], NSC-53584, DTXSID60197283, 4-19-00-03953 (Beilstein Handbook Reference), 8,9-Dihydroxy-2-methyl-4-oxo-4H,5H-pyrano[3,2-c]chromene-10-carboxylic acid, 4H,5H-Pyrano(3,2-c)(1)benzopyran-10-carboxylic acid, 8,9-dihydroxy-2-methyl-4-oxo-, 4H,5H-Pyrano[3,2-c][1]benzopyran-10-carboxylicacid, 8,9-dihydroxy-2-methyl-4-oxo-, 8,9-Dihydroxy-2-methyl-4-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-10-carboxylic acid, 8,9-DIHYDROXY-2-METHYL-4-OXO-4H,5H-PYRANO(3,2-C)(1)BENZOPYRAN-10-CARBOXYLIC ACID, 8,9-Dihydroxy-2-methyl-4-oxo-4H,5H-pyrano(3,2-c)chromene-10-carboxylate, 8,9-Dihydroxy-2-methyl-4-oxo-4H,5H-pyrano[3,2-c]chromene-10-carboxylate, 8,9-dihydroxy-2-methyl-4-oxo-5H-pyrano(3,2-c)chromene-10-carboxylic acid, Spectrum_000290, SpecPlus_000355, Spectrum5_000777, KBioSS_000770, DivK1c_006451, SCHEMBL2137852, ACon1_002335, KBio1_001395, KBio2_000770, KBio2_003338, KBio2_005906, DTXCID70119774, CHEBI:201809, AKOS040748138, FC32531, NCGC00169943-01, DA-62352, HY-116479, CS-0065609, Q15410873, 4H,2-c][1]benzopyran-10-carboxylic acid, 8,9-dihydroxy-2-methyl-4-oxo- |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 562.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,9-dihydroxy-2-methyl-4-oxo-5H-pyrano[3,2-c]chromene-10-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C14H10O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PKEPGKZPVDAVKI-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.371 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.321 |
| Compound Name | Citromycetin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 290.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6623645428571425 |
| Inchi | InChI=1S/C14H10O7/c1-5-2-7(15)6-4-20-9-3-8(16)12(17)11(14(18)19)10(9)13(6)21-5/h2-3,16-17H,4H2,1H3,(H,18,19) |
| Smiles | CC1=CC(=O)C2=C(O1)C3=C(C=C(C(=C3C(=O)O)O)O)OC2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pteris Linearis (Plant) Rel Props:Source_db:cmaup_ingredients