Q104992203

[object Object]
Name3,4,5',6',9,10'-hexamethoxy-[1,1'-biphenanthrene]-2,2',7,7'-tetrol
WikidataQ104992203
Mol. formulaC34H30O10
CAS registry number-
Mol. weight598.5973

Representations

Temporary LOTUS idLTS0046654
Name3,4,5',6',9,10'-hexamethoxy-[1,1'-biphenanthrene]-2,2',7,7'-tetrol
Canonical SMILESCOc1c(O)cc2cc(OC)c3c(-c4c(O)c(OC)c(OC)c5c4cc(OC)c4cc(O)ccc45)c(O)ccc3c2c1OC
2D SMILESCOc1c(O)cc2cc(OC)c3c(-c4c(O)c(OC)c(OC)c5c4cc(OC)c4cc(O)ccc45)c(O)ccc3c2c1OC
IUPAC name3,4,5',6',9,10'-hexamethoxy-[1,1'-biphenanthrene]-2,2',7,7'-tetrol
InChIInChI=1S/C34H30O10/c1-39-23-14-20-26(17-8-7-16(35)13-19(17)23)33(43-5)34(44-6)30(38)28(20)29-21(36)10-9-18-25-15(12-24(40-2)27(18)29)11-22(37)31(41-3)32(25)42-4/h7-14,35-38H,1-6H3
InChIKeyFAEKSGIHDACYAU-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc2c(c1)ccc3c2cccc3-c4cccc5c6ccccc6ccc54

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Orchidaceae  Bulbophyllum  Bulbophyllum reptans Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Polyketides|Shikimates and PhenylpropanoidsNaphthalenes|Phenanthrenoids|Phenanthrenes

Molecular Properties

Total atom number74
Heavy atom number44
Bond count49
Number of carbons34
Minimal number of rings6
Maximal number of rings12

Molecular Descriptors

NP-likeness score 1
Alogp5.81
Alogp233.8
Apol 87.8638
Bpol 44.2922
EccentricConnectivityIndexDescriptor 1100
FmfDescriptor 0.6364
Fsp3 0.1765
FragmentComplexityDescriptor 4349.1
PetitjeanNumber 0.4667
LipinskiRuleOf5Failures 2
WienerPathNumber5758
Xlogp 6.624
ZagrebIndex 246
TopoPSA 136.3