Q82900179

[object Object]
Name1,6-dimethyl-1h,2h,8h,9h-phenanthro[1,2-b]furan-10,11-dione
WikidataQ82900179
Mol. formulaC18H16O3
CAS registry number-
Mol. weight280.3185

Representations

Temporary LOTUS idLTS0048181
Name1,6-dimethyl-1h,2h,8h,9h-phenanthro[1,2-b]furan-10,11-dione
Canonical SMILESCC1=CCCc2c1ccc1c2C(=O)C(=O)C2=C1OCC2C
2D SMILESCC1=CCCc2c1ccc1c2C(=O)C(=O)C2=C1OCC2C
IUPAC name1,6-dimethyl-1H,2H,8H,9H,10H,11H-phenanthro[1,2-b]furan-10,11-dione
InChIInChI=1S/C18H16O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h4,6-7,10H,3,5,8H2,1-2H3
InChIKeyAZIUYJPOBCMPON-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1C=2c3ccc4C=CCCc4c3CCC2CC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Lamiaceae  Salvia  Salvia trijuga Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
PolyketidesNaphthalenesNaphthoquinones

Molecular Properties

Total atom number37
Heavy atom number21
Bond count24
Number of carbons18
Minimal number of rings4
Maximal number of rings10

Molecular Descriptors

NP-likeness score 1.25
Alogp2.98
Alogp28.87
Apol 44.7547
Bpol 21.3233
EccentricConnectivityIndexDescriptor 320
FmfDescriptor 0.8095
Fsp3 0.3333
FragmentComplexityDescriptor 1180.03
PetitjeanNumber 0.4444
LipinskiRuleOf5Failures 0
WienerPathNumber789
Xlogp 3.514
ZagrebIndex 122
TopoPSA 43.37