Q27163895

[object Object]
Name5,7-dihydroxy-2,8-dimethylchromen-4-one
WikidataQ27163895
Mol. formulaC11H10O4
CAS registry number-
Mol. weight206.1951

Representations

Temporary LOTUS idLTS0241346
Name5,7-dihydroxy-2,8-dimethylchromen-4-one
Canonical SMILESCc1cc(=O)c2c(O)cc(O)c(C)c2o1
2D SMILESCc1cc(=O)c2c(O)cc(O)c(C)c2o1
IUPAC name5,7-dihydroxy-2,8-dimethyl-4H-chromen-4-one
InChIInChI=1S/C11H10O4/c1-5-3-8(13)10-9(14)4-7(12)6(2)11(10)15-5/h3-4,12,14H,1-2H3
InChIKeyXSSGQRFNGHRFBC-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1C=CCc2ccccc12

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Myrtaceae  Syzygium  Syzygium aromaticum Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Myrtaceae  Pimenta  Pimenta pseudocaryophyllus Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
PolyketidesChromanesChromones

Molecular Properties

Total atom number25
Heavy atom number15
Bond count16
Number of carbons11
Minimal number of rings2
Maximal number of rings3

Molecular Descriptors

NP-likeness score 1
Alogp2.12
Alogp24.48
Apol 29.2359
Bpol 13.8061
EccentricConnectivityIndexDescriptor 154
FmfDescriptor 0.6667
Fsp3 0.1818
FragmentComplexityDescriptor 466.04
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber320
Xlogp 2.29
ZagrebIndex 80
TopoPSA 70.67