Q105377924

[object Object]
Name1,1,7,7a-tetramethyl-1ah,2h,3h,5h,6h,7h,7bh-cyclopropa[a]naphthalene-3,5-diol
WikidataQ105377924
Mol. formulaC15H24O2
CAS registry number-
Mol. weight236.3504

Representations

Temporary LOTUS idLTS0028636
Name1,1,7,7a-tetramethyl-1ah,2h,3h,5h,6h,7h,7bh-cyclopropa[a]naphthalene-3,5-diol
Canonical SMILESCC1CC(O)C=C2C(O)CC3C(C3(C)C)C21C
2D SMILESCC1CC(O)C=C2C(O)CC3C(C3(C)C)C21C
IUPAC name1,1,7,7a-tetramethyl-1H,1aH,2H,3H,5H,6H,7H,7aH,7bH-cyclopropa[a]naphthalene-3,5-diol
InChIInChI=1S/C15H24O2/c1-8-5-9(16)6-10-12(17)7-11-13(14(11,2)3)15(8,10)4/h6,8-9,11-13,16-17H,5,7H2,1-4H3
InChIKeyZJIVEFDADFTLMI-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1=C2CCC3CC3C2CCC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Caprifoliaceae  Nardostachys  Nardostachys jatamansi Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Lamiaceae  Stachys  Stachys chinensis Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsAristolane sesquiterpenoids

Molecular Properties

Total atom number41
Heavy atom number17
Bond count19
Number of carbons15
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1
Alogp1.92
Alogp23.68
Apol 44.007
Bpol 26.237
EccentricConnectivityIndexDescriptor 193
FmfDescriptor 0.6471
Fsp3 0.8667
FragmentComplexityDescriptor 1577.02
PetitjeanNumber 0.4286
LipinskiRuleOf5Failures 0
WienerPathNumber426
Xlogp 2.871
ZagrebIndex 104
TopoPSA 40.46