Q105011449

[object Object]
Name5,7-dihydroxy-6,10-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,8h,9h,11ah-cyclodeca[b]furan-2-one
WikidataQ105011449
Mol. formulaC15H22O4
CAS registry number-
Mol. weight266.3334

Representations

Temporary LOTUS idLTS0184251
Name5,7-dihydroxy-6,10-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,8h,9h,11ah-cyclodeca[b]furan-2-one
Canonical SMILESC=C1C(=O)OC2C=C(C)CCC(O)C(C)C(O)CC12
2D SMILESC=C1C(=O)OC2C=C(C)CCC(O)C(C)C(O)CC12
IUPAC name5,7-dihydroxy-6,10-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one
InChIInChI=1S/C15H22O4/c1-8-4-5-12(16)10(3)13(17)7-11-9(2)15(18)19-14(11)6-8/h6,10-14,16-17H,2,4-5,7H2,1,3H3
InChIKeyGLYOYLKOLBGAMF-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1CCC2CCCCCCC=CC12

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Tanacetum  Tanacetum balsamita Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Tanacetum  Tanacetum balsamita Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsGermacrane sesquiterpenoids

Molecular Properties

Total atom number41
Heavy atom number19
Bond count20
Number of carbons15
Minimal number of rings2
Maximal number of rings3

Molecular Descriptors

NP-likeness score 0.98
Alogp1.87
Alogp23.5
Apol 44.2774
Bpol 26.9246
EccentricConnectivityIndexDescriptor 253
FmfDescriptor 0.6842
Fsp3 0.6667
FragmentComplexityDescriptor 1422.04
PetitjeanNumber 0.375
LipinskiRuleOf5Failures 0
WienerPathNumber632
Xlogp 0.944
ZagrebIndex 98
TopoPSA 66.76