|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:443348_Ascorbic Acid_BAN,
synonym:443348_Ascorbic Acid_INN,
synonym:443348_Ascorbic Acid_JAN,
synonym:443348_Ascorbic Acid_USAN,
synonym:443348_Ascorbic Acid_USP,
synonym:443348_Ascorbic acid_FDA_ALTERNATIVE_NAME,
synonym:443348_Cecon_TRADE_NAME,
synonym:443348_Cenolate_TRADE_NAME,
synonym:443348_Cevitamic Acid_OTHER,
synonym:443348_Sodium Ascorbate_TRADE_NAME,
synonym:443348_Vitamin C_OTHER,
synonym:443348_Vitamin C_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
|
|
chemicalCompound:standardIn... |
CIWBSHSKHKDKBQ-JLAZNSOCSA-N
|
|
chemicalCompound:canonicalS... |
OC[C@H](O)[C@H]1OC(=O)C(=C1O)O
|
|
chemicalCompound:molecularF... |
C6H8O6
|
|
chemicalCompound:moleculeId |
443348
|
|
chemicalCompound:mwFreebase |
176.124
|
|
chemicalCompound:alogp |
-1.709
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
107.22
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.088
|
|
chemicalCompound:acdLogP |
-2.779
|
|
chemicalCompound:acdLogD |
-5.885
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
176.124
|
|
chemicalCompound:chemblId |
CHEMBL196
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
Yes
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ASCORBIC ACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1985
|
|
chemicalCompound:activity |
activity:136624,
activity:222665,
activity:222666,
activity:222667,
activity:222668,
activity:222669,
activity:222670,
activity:222671,
activity:222672,
activity:222673,
activity:298465,
activity:298466,
activity:298467,
activity:300852,
activity:510424,
activity:510425,
activity:514870,
activity:636970,
activity:636971,
activity:636972,
activity:841182,
activity:841183,
activity:841184,
activity:991161,
activity:1007036,
activity:1154752,
activity:1179799,
activity:1179800,
activity:1179801,
activity:1179802,
activity:1179803,
activity:1267135,
activity:1267136,
activity:1267137,
activity:1302425,
activity:1521373,
activity:1794417,
activity:1794442,
activity:1794884,
activity:1797983,
activity:1848995,
activity:1848996,
activity:1888542,
activity:1891313,
activity:1912448,
activity:1912457,
activity:1912466,
activity:1912475,
activity:1912484,
activity:1937656,
activity:1937658,
activity:1937660
|
