Q105186191

[object Object]
Name(1r,4s,6r,10s)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]dodecane
WikidataQ105186191
Mol. formulaC15H24O
CAS registry number-
Mol. weight220.351

Representations

Temporary LOTUS idLTS0057919
Name(1r,4s,6r,10s)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]dodecane
Canonical SMILESC=C1CC[C@H]2O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C
2D SMILESC=C1CCC2OC2(C)CCC2C1CC2(C)C
IUPAC name(1R,4S,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]dodecane
InChIInChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15+/m1/s1
InChIKeyNVEQFIOZRFFVFW-BHPKHCPMSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1C2CCCC3CCC3CCC12

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Conyza  Conyza filaginoides Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Rutidosis  Rutidosis murchisonii Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Geigeria  Geigeria ornativa Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Geigeria  Geigeria schinzii Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Xanthocephalum  Xanthocephalum gymnospermoides Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Lamiaceae  Lavandula  Lavandula latifolia Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Passifloraceae  Turnera  Turnera diffusa Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Cupressaceae  Chamaecyparis  Chamaecyparis formosensis Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Artemisia  Artemisia scoparia Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Artemisia  Artemisia annua Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Lamiaceae  Thymbra  Thymbra capitata Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Lauraceae  Laurus  Laurus nobilis Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Pulicaria  Pulicaria angustifolia Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Milleria  Milleria quinqueflora Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Pongamia  Pongamia pinnata Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Greenmaniella  Greenmaniella resinosa Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Baccharis  Baccharis trinervis 
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Baccharis  Baccharis eggersii Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Lamiaceae  Sideritis  Sideritis tragoriganum Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Lamiaceae  Sideritis  Sideritis chamaedryfolia Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Lamiaceae  Sideritis  Sideritis leucantha Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Salicaceae  Casearia  Casearia corymbosa Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsCaryophyllane sesquiterpenoids

Molecular Properties

Total atom number40
Heavy atom number16
Bond count18
Number of carbons15
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1
Alogp3.52
Alogp212.38
Apol 43.205
Bpol 28.153
EccentricConnectivityIndexDescriptor 188
FmfDescriptor 0.75
Fsp3 0.8667
FragmentComplexityDescriptor 1524.01
PetitjeanNumber 0.3333
LipinskiRuleOf5Failures 0
WienerPathNumber392
Xlogp 4.607
ZagrebIndex 96
TopoPSA 12.53