Q105277191

[object Object]
Name4-[(2s)-2-hydroxy-3-(4-hydroxy-2-methoxyphenyl)propyl]-2-methoxyphenol
WikidataQ105277191
Mol. formulaC17H20O5
CAS registry number-
Mol. weight304.3383

Representations

Temporary LOTUS idLTS0094041
Name4-[(2s)-2-hydroxy-3-(4-hydroxy-2-methoxyphenyl)propyl]-2-methoxyphenol
Canonical SMILESCOc1cc(C[C@H](O)Cc2ccc(O)cc2OC)ccc1O
2D SMILESCOc1cc(CC(O)Cc2ccc(O)cc2OC)ccc1O
IUPAC name4-[(2S)-2-hydroxy-3-(4-hydroxy-2-methoxyphenyl)propyl]-2-methoxyphenol
InChIInChI=1S/C17H20O5/c1-21-16-10-13(18)5-4-12(16)9-14(19)7-11-3-6-15(20)17(8-11)22-2/h3-6,8,10,14,18-20H,7,9H2,1-2H3/t14-/m0/s1
InChIKeyUQDYSCNSLDJNAZ-AWEZNQCLSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc(cc1)CCCc2ccccc2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Myristicaceae  Virola  Virola surinamensis Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and Phenylpropanoids--

Molecular Properties

Total atom number42
Heavy atom number22
Bond count23
Number of carbons17
Minimal number of rings2
Maximal number of rings2

Molecular Descriptors

NP-likeness score 1
Alogp2.91
Alogp28.48
Apol 47.2659
Bpol 25.6961
EccentricConnectivityIndexDescriptor 427
FmfDescriptor 0.6818
Fsp3 0.2941
FragmentComplexityDescriptor 1387.05
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber1163
Xlogp 2.024
ZagrebIndex 108
TopoPSA 79.15