Q105137206

[object Object]
Name5,7-dihydroxy-8-[(5e)-7-hydroxy-2,7-dimethylocta-1,5-dien-3-yl]chromen-4-one
WikidataQ105137206
Mol. formulaC19H22O5
CAS registry number-
Mol. weight330.3757

Representations

Temporary LOTUS idLTS0121118
Name5,7-dihydroxy-8-[(5e)-7-hydroxy-2,7-dimethylocta-1,5-dien-3-yl]chromen-4-one
Canonical SMILESC=C(C)C(C/C=C/C(C)(C)O)c1c(O)cc(O)c2c(=O)ccoc12
2D SMILESC=C(C)C(CC=CC(C)(C)O)c1c(O)cc(O)c2c(=O)ccoc12
IUPAC name5,7-dihydroxy-8-[(5E)-7-hydroxy-2,7-dimethylocta-1,5-dien-3-yl]-4H-chromen-4-one
InChIInChI=1S/C19H22O5/c1-11(2)12(6-5-8-19(3,4)23)16-14(21)10-15(22)17-13(20)7-9-24-18(16)17/h5,7-10,12,21-23H,1,6H2,2-4H3/b8-5+
InChIKeyJYTWNHNHTCWRET-VMPITWQZSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1C=CCc2ccccc12

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Sophora  Sophora leachiana Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
PolyketidesChromanesChromones

Molecular Properties

Total atom number46
Heavy atom number24
Bond count25
Number of carbons19
Minimal number of rings2
Maximal number of rings3

Molecular Descriptors

NP-likeness score 1.27
Alogp3.61
Alogp213.01
Apol 52.1194
Bpol 26.9246
EccentricConnectivityIndexDescriptor 391
FmfDescriptor 0.4167
Fsp3 0.3158
FragmentComplexityDescriptor 1657.05
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber1284
Xlogp 3.628
ZagrebIndex 124
TopoPSA 90.9