Q105143403

[object Object]
Name3a-methyl-6-methylidene-1-(prop-1-en-2-yl)-octahydroazulen-5-ol
WikidataQ105143403
Mol. formulaC15H24O
CAS registry number-
Mol. weight220.351

Representations

Temporary LOTUS idLTS0015958
Name3a-methyl-6-methylidene-1-(prop-1-en-2-yl)-octahydroazulen-5-ol
Canonical SMILESC=C1CCC2C(C(=C)C)CCC2(C)CC1O
2D SMILESC=C1CCC2C(C(=C)C)CCC2(C)CC1O
IUPAC name3a-methyl-6-methylidene-1-(prop-1-en-2-yl)-decahydroazulen-5-ol
InChIInChI=1S/C15H24O/c1-10(2)12-7-8-15(4)9-14(16)11(3)5-6-13(12)15/h12-14,16H,1,3,5-9H2,2,4H3
InChIKeyKNGFBLYDZOXQMM-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1CCC2CCCC2CC1

Organism taxonomy


KingdomPhylumFamilyGenusSpeciesLink to taxonomy
 Plantae  Tracheophyta  Cupressaceae  Fokienia  Fokienia hodginsii 
Ref:

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsDaucane sesquiterpenoids

Molecular Properties

Total atom number40
Heavy atom number16
Bond count17
Number of carbons15
Minimal number of rings2
Maximal number of rings3

Molecular Descriptors

NP-likeness score 1
Alogp3.71
Alogp213.73
Apol 43.205
Bpol 26.237
EccentricConnectivityIndexDescriptor 180
FmfDescriptor 0.625
Fsp3 0.7333
FragmentComplexityDescriptor 1441.01
PetitjeanNumber 0.4286
LipinskiRuleOf5Failures 0
WienerPathNumber388
Xlogp 4.164
ZagrebIndex 86
TopoPSA 20.23