Q105249112

[object Object]
Name14-oxo-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-10-yl acetate
WikidataQ105249112
Mol. formulaC24H24O9
CAS registry number-
Mol. weight456.4429

Representations

Temporary LOTUS idLTS0231867
Name14-oxo-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-10-yl acetate
Canonical SMILESCOc1cc(C2c3cc4c(cc3C(OC(C)=O)C3COC(=O)C23)OCO4)cc(OC)c1OC
2D SMILESCOc1cc(C2c3cc4c(cc3C(OC(C)=O)C3COC(=O)C23)OCO4)cc(OC)c1OC
IUPAC name14-oxo-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-10-yl acetate
InChIInChI=1S/C24H24O9/c1-11(25)33-22-14-8-17-16(31-10-32-17)7-13(14)20(21-15(22)9-30-24(21)26)12-5-18(27-2)23(29-4)19(6-12)28-3/h5-8,15,20-22H,9-10H2,1-4H3
InChIKeySASVNKPCTLROPQ-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1c2cc3c(cc2OC1)C(c4ccccc4)C5COCC5C3

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Cupressaceae  Juniperus  Juniperus thurifera Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Hernandiaceae  Hernandia  Hernandia ovigera Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Cupressaceae  Juniperus  Juniperus sabina Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Hernandiaceae  Hernandia  Hernandia sonora Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsLignansArylnaphthalene and aryltetralin lignans

Molecular Properties

Total atom number57
Heavy atom number33
Bond count37
Number of carbons24
Minimal number of rings5
Maximal number of rings11

Molecular Descriptors

NP-likeness score 1.01
Alogp2.49
Alogp26.2
Apol 65.461
Bpol 41.565
EccentricConnectivityIndexDescriptor 669
FmfDescriptor 0.6667
Fsp3 0.4167
FragmentComplexityDescriptor 2665.09
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber2741
Xlogp 2.377
ZagrebIndex 184
TopoPSA 98.75