Q105197301

[object Object]
Name(4as,8ar,9ar)-3,8a-dimethyl-5-methylidene-4h,4ah,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one
WikidataQ105197301
Mol. formulaC15H20O2
CAS registry number-
Mol. weight232.3187

Representations

Temporary LOTUS idLTS0275034
Name(4as,8ar,9ar)-3,8a-dimethyl-5-methylidene-4h,4ah,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one
Canonical SMILESC=C1CCC[C@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@@H]12
2D SMILESC=C1CCCC2(C)CC3OC(=O)C(C)=C3CC12
IUPAC name(4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one
InChIInChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h12-13H,1,4-8H2,2-3H3/t12-,13+,15+/m0/s1
InChIKeyOQYBLUDOOFOBPO-GZBFAFLISA-N
Deep SMILEScould not be computed
Murcko FrameworkO1CC=C2CC3CCCCC3CC12

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Chloranthaceae  Chloranthus  Chloranthus spicatus Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Loranthaceae  Oryctanthus  Oryctanthus spicatus Wikidata logo
Ref:
Wikidata logo

KingdomPhylumFamilyGenusSpeciesLink to taxonomy
 Plantae  Tracheophyta  Asteraceae  Mikania  Mikania banisteriae 
Ref:

KingdomPhylumFamilyGenusLink to taxonomy
 Plantae  Tracheophyta  Asteraceae  Doellingeria 
Ref:

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Atractylodes  Atractylodes macrocephala Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsEudesmane sesquiterpenoids

Molecular Properties

Total atom number37
Heavy atom number17
Bond count19
Number of carbons15
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 0.98
Alogp3.57
Alogp212.77
Apol 41.3399
Bpol 24.7381
EccentricConnectivityIndexDescriptor 214
FmfDescriptor 0.7647
Fsp3 0.6667
FragmentComplexityDescriptor 1249.02
PetitjeanNumber 0.4286
LipinskiRuleOf5Failures 0
WienerPathNumber450
Xlogp 3.355
ZagrebIndex 98
TopoPSA 26.3