Q105196639

[object Object]
NameAnnopholine
WikidataQ105196639
Mol. formulaC16H15NO2
CAS registry number-
Mol. weight253.2964

Representations

Temporary LOTUS idLTS0020677
NameAnnopholine
Canonical SMILESCOc1c2ccccc2c(OC)c2c(C)ccnc12
2D SMILESCOc1c2ccccc2c(OC)c2c(C)ccnc12
IUPAC name5,10-dimethoxy-4-methylbenzo[g]quinoline
InChIInChI=1S/C16H15NO2/c1-10-8-9-17-14-13(10)15(18-2)11-6-4-5-7-12(11)16(14)19-3/h4-9H,1-3H3
InChIKeyOPYIJAAIVQYHQH-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkn1cccc2cc3ccccc3cc12

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Annonaceae  Annona  Annona hayesii Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Alkaloids|AlkaloidsTryptophan alkaloids||

Molecular Properties

Total atom number34
Heavy atom number19
Bond count21
Number of carbons16
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1
Alogp3.38
Alogp211.41
Apol 40.8659
Bpol 21.5501
EccentricConnectivityIndexDescriptor 245
FmfDescriptor 0.7368
Fsp3 0.1875
FragmentComplexityDescriptor 954.03
PetitjeanNumber 0.2857
LipinskiRuleOf5Failures 0
WienerPathNumber596
Xlogp 3.658
ZagrebIndex 102
TopoPSA 31.35