4-Hydroxycoumarins
PubChem CID: 54682930
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| Compound Synonyms | 4-Hydroxycoumarin, 1076-38-6, 4-Coumarinol, Benzotetronic acid, 4-Hydroxy-2H-chromen-2-one, Coumarin, 4-hydroxy-, 4-hydroxychromen-2-one, 2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-, 4-Hydroxy-2H-1-benzopyran-2-one, 4-Hydroxy coumarin, 4-Hydroxy-chromen-2-one, 4-hydroxy-2-chromenone, 4-Hydroxycoumarine, MFCD00006856, 4-hydroxy-2H-benzo[b]pyran-2-one, EINECS 214-060-2, X954ZLL2RD, NSC 11889, 4-HYDROXY-1-BENZOPYRAN-2-ONE, BRN 0129768, CHEBI:40070, AI3-52393, NSC-11889, 22105-09-5, CHEMBL301141, 5-18-01-00378 (Beilstein Handbook Reference), NSC11889, 4-HYDROXYCOUMARIN [USP IMPURITY], WARFARIN SODIUM IMPURITY B [EP IMPURITY], 4-Hydroxy-2H-1-benzopyran-2-one (4-Hydroxycoumarin), 4-hydroxy-2H-benzo(b)pyran-2-one, 4-HYDROXYCOUMARINS, 2-Hydroxychromone, 4 Hydroxycoumarins, 4-OH coumarin, 4-HYDROXYCOUMARIN (USP IMPURITY), 4-hydroxy-coumarin, 4HC, WARFARIN SODIUM IMPURITY B (EP IMPURITY), 4H-1-Benzopyran-4-one, 2-hydroxy-, UNII-X954ZLL2RD, hydroxychromone, 4Coumarinol, 4hydroxycoumarin, 4-hyroxycoumarin, Coumarin, 4hydroxy, 4-hydroxyl coumarin, 4-Monohydroxycoumarin, 4-Hydroxycoumarin, 98%, CBiol_000838, WLN: T66 BOVJ EQ, 2H1Benzopyran2one, 4hydroxy, MLS004491719, Coumarin, 4-hydroxy-(8CI), SCHEMBL131312, MEGxm0_000452, SCHEMBL1961365, DTXSID8061472, ACon1_001952, 4-Hydroxy-2H-chromen-2-one #, DTXSID50944748, HMS1607G02, 4-hydroxy-2-oxo-2H-1-benzopyran, 2-Hydroxy-4H-1-benzopyran-4-one, BCP31120, HY-N6856, STR01861, BBL027616, BDBM50055710, ICCB4_000134, STK801816, AKOS000119142, AKOS037515220, DB03410, FH07793, NCGC00179970-01, AC-13227, NCI60_000453, PD016118, SMR000112320, SY001614, DB-014485, CS-0015925, EU-0066799, H0235, NS00014742, EN300-17333, C20414, D71127, 4-Hydroxycoumarin, Vetec(TM) reagent grade, 98%, AH-034/32464035, SR-01000389319, 4-Hydroxy-1-benzopyran-2-one, 4-Coumarinyl alcohol, SR-01000389319-1, BRD-K48844111-001-01-4, Q25323691, Z56922074, 4-HYDROXY-1-BENZOPYRAN-2-ONE, 4-HYDROXYCOUMARIN, F0266-2972, 4-Hydroxy Coumarin, 4-Coumarinol, 4-Hydroxy-2H-chromen-2-one, InChI=1/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10, 214-060-2 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q7ZJM1, P47989, n.a., Q16790, P00918, P00915, O43570, P15121, Q00796, P22309, Q9HAW8, P35503, P22310, Q9HAW7, Q9HAW9, Q9Y4X1, P54855, Q16236, P68400 |
| Iupac Name | 4-hydroxychromen-2-one |
| Prediction Hob | 1.0 |
| Target Id | NPT967, NPT947, NPT948, NPT949 |
| Xlogp | 1.3 |
| Molecular Formula | C9H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VXIXUWQIVKSKSA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.18 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.381 |
| Compound Name | 4-Hydroxycoumarins |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 162.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6383594666666668 |
| Inchi | InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H |
| Smiles | C1=CC=C2C(=C1)C(=CC(=O)O2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all