Kojic acid
PubChem CID: 3840
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| Compound Synonyms | kojic acid, 501-30-4, 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one, 5-Hydroxy-2-(hydroxymethyl)-4-pyrone, 4H-PYRAN-4-ONE, 5-HYDROXY-2-(HYDROXYMETHYL)-, 5-hydroxy-2-(hydroxymethyl)pyran-4-one, 5-Hydroxy-2-hydroxymethyl-4-pyrone, acido kojico, 2-Hydroxymethyl-5-hydroxy-gamma-pyrone, MFCD00006580, Kojisaeure, CCRIS 4131, 2-(Hydroxymethyl)-5-hydroxy-4H-pyran-4-one, NSC 1942, EINECS 207-922-4, UNII-6K23F1TT52, BRN 0120895, 5-Hydroxy-2-hydroxymethyl-4H-4-pyranone, DTXSID2040236, CHEBI:43572, AI3-02549, HSDB 7664, Pyran-4-one, 5-hydroxy-2-(hydroxymethyl), 6K23F1TT52, NSC-1942, 123712-78-7, 5-Hydroxy-2-hydroxymethyl-pyran-4-one, 5-Hydroxy-2-hydroxymethyl-4H-pyran-4-one, CHEMBL287556, DTXCID0020236, NSC1942, 5-18-02-00516 (Beilstein Handbook Reference), NCGC00017325-03, NCGC00017325-06, KOJIC ACID (IARC), KOJIC ACID [IARC], KOJIC ACID (MART.), KOJIC ACID [MART.], CAS-501-30-4, Kojic acid (Standard), Spectrum_000191, KOJIC ACID [MI], Spectrum2_001828, Spectrum3_001704, Spectrum4_000571, Spectrum5_001085, Natural Kojic Acid Powder, KOJIC ACID [HSDB], Oprea1_038773, SCHEMBL36895, BSPBio_003288, KBioGR_001002, KBioSS_000671, KOJIC ACID [WHO-DD], BIDD:ER0501, DivK1c_000923, SPBio_001875, Kojic acid, analytical standard, MEGxm0_000388, WLN: T6O DVJ B1Q EQ, ACon1_000622, BEJNERDRQOWKJM-UHFFFAOYSA-, HMS502O05, KBio1_000923, KBio2_000671, KBio2_003239, KBio2_005807, KBio3_002508, NINDS_000923, HMS3604L04, KUC106760N, HY-W050154R, TNP00261, 2-Hydroxymethyl-5-hydroxy-?-pyrone, Tox21_110814, Tox21_113449, BBL010645, BDBM50031467, CCG-38458, s5174, STK801688, AKOS000120649, Tox21_110814_1, 5-Hydroxy-2-hydroxymethyl-I(3)-pyron, DB01759, FK01303, HY-W050154, IDI1_000923, SMP1_000171, NCGC00017325-01, NCGC00017325-02, NCGC00017325-04, NCGC00017325-05, NCGC00017325-10, NCGC00142361-01, NCGC00168903-01, NCGC00168903-02, NCGC00181145-01, AC-11658, AS-11648, Kojic acid, purum, >=98.0% (HPLC), KSC-11-228-2, SY018009, 2-Hydroxymethyl-5-hydroxy-4H-pyran-4-one, CS-0032701, K0010, K0012, NS00013805, EN300-20919, C91105, 2-HYDROXYMETHYL-5-HYDROXY-.GAMMA.-PYRONE, AN-584/40205787, Q416285, SR-01000945134, SR-01000945134-1, C65A72E0-0E46-4AF4-AA68-178ECA2E5FCC, F0001-1307, Z104484860, InChI=1/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2, 207-922-4, 5-Hydroxy-2-hydroxymethyl-4-pyrone, 2-Hydroxymethyl-5-hydroxy-4-pyrone, 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Description | Synthetic intermed. for prodn. of food additives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 214.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P14679, n.a., O42713, P11344, Q969S8, B2RXH2, P29477, P15917, P08254, P03956, P08253, P09917, P22894, P14780, P25094, P80456, P14920, P00371, Q9Y6L6, Q9NPD5, Q00024, Q8AYA1, B2ZB02, P03433 |
| Iupac Name | 5-hydroxy-2-(hydroxymethyl)pyran-4-one |
| Prediction Hob | 1.0 |
| Class | Pyrans |
| Target Id | NPT741, NPT48, NPT645 |
| Xlogp | -0.9 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyranones and derivatives |
| Molecular Formula | C6H6O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BEJNERDRQOWKJM-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -0.099 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.069 |
| Synonyms | 2-(Hydroxymethyl)-5-hydroxy-4H-pyran-4-one, 2-Hydroxymethyl-5-hydroxy-gamma-pyrone, 4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-, 5-Hydroxy-2-(hydroxymethyl)-4-pyrone, 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one, 5-hydroxy-2-(hydroxymethyl)pyran-4-one, 5-hydroxy-2-hydroxymethyl-4-pyrone, 5-Hydroxy-2-hydroxymethyl-4H-4-pyranone, Acido kojico, KOJ, Kojate, Kojic acid, Kojisaeure, Pyran-4-one, 5-hydroxy-2-(hydroxymethyl) |
| Substituent Name | Pyranone, Heteroaromatic compound, Cyclic ketone, Oxacycle, Hydrocarbon derivative, Aromatic alcohol, Primary alcohol, Organooxygen compound, Alcohol, Aromatic heteromonocyclic compound |
| Compound Name | Kojic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.027 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 142.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.0114180000000004 |
| Inchi | InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2 |
| Smiles | C1=C(OC=C(C1=O)O)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acronychia Pedunculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artocarpus Gomezianus (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Marrubium Cylleneum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Myrsine Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all