Q105127869

[object Object]
Name3,7,10a-trimethoxy-4,4a-dihydrooxanthren-1-one
WikidataQ105127869
Mol. formulaC15H16O6
CAS registry number-
Mol. weight292.2845

Representations

Temporary LOTUS idLTS0196947
Name3,7,10a-trimethoxy-4,4a-dihydrooxanthren-1-one
Canonical SMILESCOC1=CC(=O)C2(OC)Oc3ccc(OC)cc3OC2C1
2D SMILESCOC1=CC(=O)C2(OC)Oc3ccc(OC)cc3OC2C1
IUPAC name3,7,10a-trimethoxy-1,4,4a,10a-tetrahydrooxanthren-1-one
InChIInChI=1S/C15H16O6/c1-17-9-4-5-11-12(6-9)20-14-8-10(18-2)7-13(16)15(14,19-3)21-11/h4-7,14H,8H2,1-3H3
InChIKeyJHCCCGDYBWNZBF-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1c2ccccc2OC3CC=CCC13

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Hypericaceae  Hypericum  Hypericum reptans Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and Phenylpropanoids--

Molecular Properties

Total atom number37
Heavy atom number21
Bond count23
Number of carbons15
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1.02
Alogp1.26
Alogp21.59
Apol 41.8807
Bpol 28.0293
EccentricConnectivityIndexDescriptor 349
FmfDescriptor 0.6667
Fsp3 0.4
FragmentComplexityDescriptor 1101.06
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber850
Xlogp 0.839
ZagrebIndex 114
TopoPSA 63.22