|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
|
|
chemicalCompound:standardIn... |
NOOLISFMXDJSKH-KXUCPTDWSA-N
|
|
chemicalCompound:canonicalS... |
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
|
|
chemicalCompound:molecularF... |
C10H20O
|
|
chemicalCompound:moleculeId |
445611
|
|
chemicalCompound:mwFreebase |
156.265
|
|
chemicalCompound:alogp |
2.779
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
20.23
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.216
|
|
chemicalCompound:acdLogD |
3.216
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
156.265
|
|
chemicalCompound:chemblId |
CHEMBL470670
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
(-)-MENTHOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
2008
|
|
chemicalCompound:activity |
activity:2313860,
activity:2315679,
activity:2315691,
activity:2315703,
activity:2315715,
activity:2315740,
activity:2315742,
activity:2324483,
activity:2437874,
activity:3301086,
activity:3301087,
activity:3418263,
activity:3440660,
activity:3440661,
activity:3440662,
activity:3440663,
activity:3440664,
activity:3440665,
activity:3440666,
activity:3440667,
activity:3440668,
activity:3440669,
activity:3440670,
activity:3440671,
activity:3440672,
activity:3440673,
activity:3440674,
activity:3440675,
activity:3440676,
activity:3440677,
activity:5084013,
activity:5084224,
activity:5161180,
activity:5161181,
activity:5161237,
activity:5161238,
activity:5317553,
activity:5318504,
activity:5319455,
activity:7564300,
activity:7564301,
activity:7564302,
activity:7564303,
activity:7564304,
activity:7564305,
activity:7564306,
activity:7564314,
activity:7564315,
activity:7564316,
activity:7564317,
activity:7564318
|
