Q105279692

[object Object]
Name(4r,4as,7ar,8r)-4,8-dihydroxy-6,6,8-trimethyl-3h,4h,4ah,5h,7h,7ah,9h-azuleno[5,6-c]furan-1-one
WikidataQ105279692
Mol. formulaC15H22O4
CAS registry number-
Mol. weight266.3334

Representations

Temporary LOTUS idLTS0019406
Name(4r,4as,7ar,8r)-4,8-dihydroxy-6,6,8-trimethyl-3h,4h,4ah,5h,7h,7ah,9h-azuleno[5,6-c]furan-1-one
Canonical SMILESCC1(C)C[C@@H]2[C@@H](O)C3=C(C[C@@](C)(O)[C@@H]2C1)C(=O)OC3
2D SMILESCC1(C)CC2C(O)C3=C(CC(C)(O)C2C1)C(=O)OC3
IUPAC name(4R,4aS,7aR,8R)-4,8-dihydroxy-6,6,8-trimethyl-1H,3H,4H,4aH,5H,6H,7H,7aH,8H,9H-azuleno[5,6-c]furan-1-one
InChIInChI=1S/C15H22O4/c1-14(2)4-9-11(6-14)15(3,18)5-8-10(12(9)16)7-19-13(8)17/h9,11-12,16,18H,4-7H2,1-3H3/t9-,11+,12+,15+/m0/s1
InChIKeyUUZWMJQAEYBHAO-AYIJCJCZSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1CC2=C(C1)CC3CCCC3CC2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Fungi  Basidiomycota  Russulaceae  Russula  Russula brevipes Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsLactarane sesquiterpenoids

Molecular Properties

Total atom number41
Heavy atom number19
Bond count21
Number of carbons15
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1.32
Alogp1.33
Alogp21.76
Apol 44.2774
Bpol 26.9246
EccentricConnectivityIndexDescriptor 239
FmfDescriptor 0.6842
Fsp3 0.8
FragmentComplexityDescriptor 1507.04
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber584
Xlogp 1.424
ZagrebIndex 112
TopoPSA 66.76