Q105362842

[object Object]
Name(1e,2s,3s)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
WikidataQ105362842
Mol. formulaC30H26O8
CAS registry number-
Mol. weight514.5238

Representations

Temporary LOTUS idLTS0120543
Name(1e,2s,3s)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
Canonical SMILESCOc1cc(/C=C2/c3cc(O)cc(O)c3[C@H](c3ccc(O)c(OC)c3)[C@H]2c2cc(O)cc(O)c2)ccc1O
2D SMILESCOc1cc(C=C2c3cc(O)cc(O)c3C(c3ccc(O)c(OC)c3)C2c2cc(O)cc(O)c2)ccc1O
IUPAC name(1E,2S,3S)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-indene-4,6-diol
InChIInChI=1S/C30H26O8/c1-37-26-8-15(3-5-23(26)34)7-21-22-13-20(33)14-25(36)30(22)29(16-4-6-24(35)27(11-16)38-2)28(21)17-9-18(31)12-19(32)10-17/h3-14,28-29,31-36H,1-2H3/b21-7-/t28-,29+/m0/s1
InChIKeyYUGHGAXRXHODHK-MGOPEXEZSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc(cc1)C=C2c3ccccc3C(c4ccccc4)C2c5ccccc5

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Gnetaceae  Gnetum  Gnetum klossii Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Gnetaceae  Gnetum  Gnetum hainanense Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Gnetaceae  Gnetum  Gnetum ula Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Gnetaceae  Gnetum  Gnetum macrostachyum Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsStilbenoidsOligomeric stibenes

Molecular Properties

Total atom number64
Heavy atom number38
Bond count42
Number of carbons30
Minimal number of rings5
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1
Alogp5.31
Alogp228.17
Apol 76.5526
Bpol 32.2554
EccentricConnectivityIndexDescriptor 817
FmfDescriptor 0.7368
Fsp3 0.1333
FragmentComplexityDescriptor 3218.08
PetitjeanNumber 0.4615
LipinskiRuleOf5Failures 2
WienerPathNumber4081
Xlogp 4.83
ZagrebIndex 208
TopoPSA 139.84