Q105368091

[object Object]
Name5-(3,4-dihydroxyphenyl)-4,11,12-trihydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),4,9,11-pentaene-3,6-dione
WikidataQ105368091
Mol. formulaC18H10O8
CAS registry number-
Mol. weight354.2679

Representations

Temporary LOTUS idLTS0078990
Name5-(3,4-dihydroxyphenyl)-4,11,12-trihydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),4,9,11-pentaene-3,6-dione
Canonical SMILESO=C1C(c2ccc(O)c(O)c2)=C(O)C(=O)c2c1oc1cc(O)c(O)cc21
2D SMILESO=C1C(c2ccc(O)c(O)c2)=C(O)C(=O)c2c1oc1cc(O)c(O)cc21
IUPAC name5-(3,4-dihydroxyphenyl)-4,11,12-trihydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),4,9,11-pentaene-3,6-dione
InChIInChI=1S/C18H10O8/c19-8-2-1-6(3-9(8)20)13-15(23)16(24)14-7-4-10(21)11(22)5-12(7)26-18(14)17(13)25/h1-5,19-23H
InChIKeyYXRBIRYXOSYHBV-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworko1c2ccccc2c3c1CC(=CC3)c4ccccc4

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Fungi  Basidiomycota  Suillaceae  Suillus  Suillus grevillei Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsTerphenylsp-Terphenyls

Molecular Properties

Total atom number36
Heavy atom number26
Bond count29
Number of carbons18
Minimal number of rings4
Maximal number of rings7

Molecular Descriptors

NP-likeness score 1.24
Alogp2.2
Alogp24.83
Apol 44.7639
Bpol 14.7641
EccentricConnectivityIndexDescriptor 515
FmfDescriptor 0.7308
Fsp3 0
FragmentComplexityDescriptor 871.08
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber1527
Xlogp 2.896
ZagrebIndex 148
TopoPSA 148.43