Q105361355

[object Object]
Name2,5-dimethyl-10-methylidene-7-(prop-1-en-2-yl)-2h,3h,6ah,7h,8h,9h,10ah-cyclohexa[e]azulene-1,4-dione
WikidataQ105361355
Mol. formulaC20H24O2
CAS registry number-
Mol. weight296.4041

Representations

Temporary LOTUS idLTS0169229
Name2,5-dimethyl-10-methylidene-7-(prop-1-en-2-yl)-2h,3h,6ah,7h,8h,9h,10ah-cyclohexa[e]azulene-1,4-dione
Canonical SMILESC=C(C)C1CCC(=C)C2C3=C(CC(C)C3=O)C(=O)C(C)=CC12
2D SMILESC=C(C)C1CCC(=C)C2C3=C(CC(C)C3=O)C(=O)C(C)=CC12
IUPAC name2,5-dimethyl-10-methylidene-7-(prop-1-en-2-yl)-1H,2H,3H,4H,6aH,7H,8H,9H,10H,10aH-cyclohexa[e]azulene-1,4-dione
InChIInChI=1S/C20H24O2/c1-10(2)14-7-6-11(3)17-15(14)8-12(4)19(21)16-9-13(5)20(22)18(16)17/h8,13-15,17H,1,3,6-7,9H2,2,4-5H3
InChIKeyYTEYTHRWXHJPKG-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1=CC2CCCCC2C3=C(C1)CCC3

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Euphorbiaceae  Jatropha  Jatropha curcas Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsDiterpenoidsRhamnofolane diterpenoids

Molecular Properties

Total atom number46
Heavy atom number22
Bond count24
Number of carbons20
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1.06
Alogp4.19
Alogp217.58
Apol 52.807
Bpol 28.153
EccentricConnectivityIndexDescriptor 288
FmfDescriptor 0.6364
Fsp3 0.5
FragmentComplexityDescriptor 1842.02
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber868
Xlogp 2.896
ZagrebIndex 122
TopoPSA 34.14