Q104398989

[object Object]
Name1-(2,4-dihydroxy-6-methoxyphenyl)-2-methylpropan-1-one
WikidataQ104398989
Mol. formulaC11H14O4
CAS registry number-
Mol. weight210.2269

Representations

Temporary LOTUS idLTS0231542
Name1-(2,4-dihydroxy-6-methoxyphenyl)-2-methylpropan-1-one
Canonical SMILESCOc1cc(O)cc(O)c1C(=O)C(C)C
2D SMILESCOc1cc(O)cc(O)c1C(=O)C(C)C
IUPAC name1-(2,4-dihydroxy-6-methoxyphenyl)-2-methylpropan-1-one
InChIInChI=1S/C11H14O4/c1-6(2)11(14)10-8(13)4-7(12)5-9(10)15-3/h4-6,12-13H,1-3H3
InChIKeyBONNBLZTHDEOEP-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccccc1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Myrtaceae  Kunzea  Kunzea sinclairii Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Myrtaceae  Eucalyptus  Eucalyptus robusta Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
PolyketidesPhloroglucinolsAcyl phloroglucinols

Molecular Properties

Total atom number29
Heavy atom number15
Bond count15
Number of carbons11
Minimal number of rings1
Maximal number of rings1

Molecular Descriptors

NP-likeness score 1.03
Alogp2.15
Alogp24.61
Apol 31.9031
Bpol 18.1789
EccentricConnectivityIndexDescriptor 155
FmfDescriptor 0.4
Fsp3 0.3636
FragmentComplexityDescriptor 631.04
PetitjeanNumber 0.4286
LipinskiRuleOf5Failures 0
WienerPathNumber344
Xlogp 1.977
ZagrebIndex 72
TopoPSA 66.76