Q104402661

[object Object]
Name8,8-dimethyl-6h,7h-pyrano[3,2-g]chromen-2-one
WikidataQ104402661
Mol. formulaC14H14O3
CAS registry number-
Mol. weight230.2597

Representations

Temporary LOTUS idLTS0242500
Name8,8-dimethyl-6h,7h-pyrano[3,2-g]chromen-2-one
Canonical SMILESCC1(C)CCc2cc3ccc(=O)oc3cc2O1
2D SMILESCC1(C)CCc2cc3ccc(=O)oc3cc2O1
IUPAC name8,8-dimethyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one
InChIInChI=1S/C14H14O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyOHVLVQZSSLHFMS-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1c2cc3OCCCc3cc2C=CC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Apiaceae  Ammi  Ammi majus Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and Phenylpropanoids|Shikimates and PhenylpropanoidsCoumarins|CoumarinsFurocoumarins|Pyranocoumarins

Molecular Properties

Total atom number31
Heavy atom number17
Bond count19
Number of carbons14
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1
Alogp3.27
Alogp210.67
Apol 36.3811
Bpol 20.0949
EccentricConnectivityIndexDescriptor 241
FmfDescriptor 0.8235
Fsp3 0.3571
FragmentComplexityDescriptor 817.03
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber486
Xlogp 3.646
ZagrebIndex 96
TopoPSA 39.44