Q27106717

[object Object]
NameGentioflavine
WikidataQ27106717
Mol. formulaC10H11NO3
CAS registry number-
Mol. weight193.1996

Representations

Temporary LOTUS idLTS0209900
NameGentioflavine
Canonical SMILESCC1NC=C2C(=O)OCCC2=C1C=O
2D SMILESCC1NC=C2C(=O)OCCC2=C1C=O
IUPAC name6-methyl-1-oxo-1H,3H,4H,6H,7H-pyrano[3,4-c]pyridine-5-carbaldehyde
InChIInChI=1S/C10H11NO3/c1-6-9(5-12)7-2-3-14-10(13)8(7)4-11-6/h4-6,11H,2-3H2,1H3
InChIKeyGLNRAZLQBMAROT-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1CC2=CNCC=C2CC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Gentianaceae  Swertia  Swertia marginata Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
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Molecular Properties

Total atom number25
Heavy atom number14
Bond count15
Number of carbons10
Minimal number of rings2
Maximal number of rings3

Molecular Descriptors

NP-likeness score 0.97
Alogp-0.15
Alogp20.02
Apol 28.4407
Bpol 16.5173
EccentricConnectivityIndexDescriptor 141
FmfDescriptor 0.7143
Fsp3 0.4
FragmentComplexityDescriptor 494.04
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber272
Xlogp 0.533
ZagrebIndex 72
TopoPSA 55.4