Q105169019

[object Object]
Name{3-ethenyl-3,4a,7,10a-tetramethyl-octahydro-1h-naphtho[2,1-b]pyran-7-yl}methanol
WikidataQ105169019
Mol. formulaC20H34O2
CAS registry number-
Mol. weight306.4835

Representations

Temporary LOTUS idLTS0219124
Name{3-ethenyl-3,4a,7,10a-tetramethyl-octahydro-1h-naphtho[2,1-b]pyran-7-yl}methanol
Canonical SMILESC=CC1(C)CCC2C(C)(CCC3C(C)(CO)CCCC32C)O1
2D SMILESC=CC1(C)CCC2C(C)(CCC3C(C)(CO)CCCC32C)O1
IUPAC name{3-ethenyl-3,4a,7,10a-tetramethyl-dodecahydro-1H-naphtho[2,1-b]pyran-7-yl}methanol
InChIInChI=1S/C20H34O2/c1-6-18(3)12-8-16-19(4)11-7-10-17(2,14-21)15(19)9-13-20(16,5)22-18/h6,15-16,21H,1,7-14H2,2-5H3
InChIKeyMONXCRDSDZQGGT-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1CCCC2C1CCC3CCCCC32

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Alismataceae  Sagittaria  Sagittaria trifolia Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Alismataceae  Sagittaria  Sagittaria trifolia Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Polemoniaceae  Polemonium  Polemonium viscosum Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Grindelia  Grindelia scorzonerifolia Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Stevia  Stevia rebaudiana Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Baccharis  Baccharis tola Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsDiterpenoidsLabdane diterpenoids

Molecular Properties

Total atom number56
Heavy atom number22
Bond count24
Number of carbons20
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1.16
Alogp3.95
Alogp215.57
Apol 59.475
Bpol 39.085
EccentricConnectivityIndexDescriptor 346
FmfDescriptor 0.6364
Fsp3 0.9
FragmentComplexityDescriptor 2902.02
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber901
Xlogp 4.82
ZagrebIndex 128
TopoPSA 29.46