Q76535319

[object Object]
Name(-)-5-silphiperfolene
WikidataQ76535319
Mol. formulaC15H24
CAS registry number-
Mol. weight204.3516

Representations

Temporary LOTUS idLTS0077856
Name(-)-5-silphiperfolene
Canonical SMILESCC1=C[C@@]2(C)CC[C@@H]3[C@@H](C)CC[C@@]32[C@H]1C
2D SMILESCC1=CC2(C)CCC3C(C)CCC32C1C
IUPAC name(1S,2S,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.0¹,⁵]undec-3-ene
InChIInChI=1S/C15H24/c1-10-5-8-15-12(3)11(2)9-14(15,4)7-6-13(10)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12-,13+,14+,15+/m0/s1
InChIKeyOVRIZVNVMIWWMN-VNUKXSOBSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1=CC2CCC3CCCC23C1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Osteospermum  Osteospermum auriculatum Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Wedelia  Wedelia hookeriana Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Silphium  Silphium perfoliatum Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Silphium  Silphium asteriscus Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Planaltoa  Planaltoa lychnophoroides Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsSilphiperfolane sesquiterpenoids

Molecular Properties

Total atom number39
Heavy atom number15
Bond count17
Number of carbons15
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1
Alogp4.12
Alogp217
Apol 42.403
Bpol 26.237
EccentricConnectivityIndexDescriptor 150
FmfDescriptor 0.7333
Fsp3 0.8667
FragmentComplexityDescriptor 1471
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 1
WienerPathNumber289
Xlogp 6.399
ZagrebIndex 92
TopoPSA 0