Q76386743

[object Object]
NameHelilandin b
WikidataQ76386743
Mol. formulaC18H18O5
CAS registry number-
Mol. weight314.3332

Representations

Temporary LOTUS idLTS0142457
NameHelilandin b
Canonical SMILESCOc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OC)c1OC
2D SMILESCOc1cc(O)c(C(=O)C=Cc2ccccc2)c(OC)c1OC
IUPAC name(2E)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-phenylprop-2-en-1-one
InChIInChI=1S/C18H18O5/c1-21-15-11-14(20)16(18(23-3)17(15)22-2)13(19)10-9-12-7-5-4-6-8-12/h4-11,20H,1-3H3/b10-9+
InChIKeyPSHNFUINYKNYTK-MDZDMXLPSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc(cc1)C=CCc2ccccc2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Helichrysum  Helichrysum sutherlandii Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Lauraceae  Lindera  Lindera erythrocarpa Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Annonaceae  Uvaria  Uvaria mocoli Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsFlavonoidsChalcones

Molecular Properties

Total atom number41
Heavy atom number23
Bond count24
Number of carbons18
Minimal number of rings2
Maximal number of rings2

Molecular Descriptors

NP-likeness score 1.02
Alogp3.39
Alogp211.46
Apol 47.6923
Bpol 26.3837
EccentricConnectivityIndexDescriptor 436
FmfDescriptor 0.6522
Fsp3 0.1667
FragmentComplexityDescriptor 1258.05
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber1220
Xlogp 3.348
ZagrebIndex 112
TopoPSA 64.99