Q104915286

[object Object]
Name(2r)-2-(2-hydroxypropan-2-yl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-g]chromen-7-one
WikidataQ104915286
Mol. formulaC15H16O6
CAS registry number-
Mol. weight292.2845

Representations

Temporary LOTUS idLTS0084385
Name(2r)-2-(2-hydroxypropan-2-yl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-g]chromen-7-one
Canonical SMILESCOc1c2c(cc3ccc(=O)oc13)O[C@@H](C(C)(C)O)CO2
2D SMILESCOc1c2c(cc3ccc(=O)oc13)OC(C(C)(C)O)CO2
IUPAC name(2R)-2-(2-hydroxypropan-2-yl)-5-methoxy-2H,3H,7H-[1,4]dioxino[2,3-g]chromen-7-one
InChIInChI=1S/C15H16O6/c1-15(2,17)10-7-19-13-9(20-10)6-8-4-5-11(16)21-12(8)14(13)18-3/h4-6,10,17H,7H2,1-3H3/t10-/m1/s1
InChIKeyANMZUQFDFDGVSQ-SNVBAGLBSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1c2cc3OCCOc3cc2C=CC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Rutaceae  Haplophyllum  Haplophyllum obtusifolium Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsCoumarinsFurocoumarins

Molecular Properties

Total atom number37
Heavy atom number21
Bond count23
Number of carbons15
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1.31
Alogp2.01
Alogp24.04
Apol 41.8807
Bpol 26.1133
EccentricConnectivityIndexDescriptor 335
FmfDescriptor 0.6667
Fsp3 0.4
FragmentComplexityDescriptor 1101.06
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber862
Xlogp 2.122
ZagrebIndex 116
TopoPSA 78.13