Q906609

[object Object]
NameQuinizarin
WikidataQ906609
Mol. formulaC14H8O4
CAS registry number-
Mol. weight240.2114

Representations

Temporary LOTUS idLTS0023479
NameQuinizarin
Canonical SMILESO=C1c2ccccc2C(=O)c2c(O)ccc(O)c21
2D SMILESO=C1c2ccccc2C(=O)c2c(O)ccc(O)c21
IUPAC name1,4-dihydroxy-9,10-dihydroanthracene-9,10-dione
InChIInChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
InChIKeyGUEIZVNYDFNHJU-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc2c(c1)Cc3ccccc3C2

Organism taxonomy


KingdomPhylumFamilyGenusSpeciesLink to taxonomy
 Plantae  Tracheophyta  Polygonaceae  Reynoutria  Reynoutria japonica 
Ref:

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Rubiaceae  Rubia  Rubia tinctorum Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Rubiaceae  Galium  Galium sinaicum Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
PolyketidesPolycyclic aromatic polyketidesAnthraquinones and anthrones

Molecular Properties

Total atom number26
Heavy atom number18
Bond count20
Number of carbons14
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1.05
Alogp2.27
Alogp25.17
Apol 33.1823
Bpol 10.6617
EccentricConnectivityIndexDescriptor 224
FmfDescriptor 0.7778
Fsp3 0
FragmentComplexityDescriptor 478.04
PetitjeanNumber 0.4286
LipinskiRuleOf5Failures 0
WienerPathNumber511
Xlogp 2.296
ZagrebIndex 100
TopoPSA 74.6