Q105146421

[object Object]
Name14,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-6,11-diol
WikidataQ105146421
Mol. formulaC17H13NO4
CAS registry number-
Mol. weight295.2901

Representations

Temporary LOTUS idLTS0021720
Name14,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-6,11-diol
Canonical SMILESCOc1cc2c3c(cc4c(O)cccc4c3c1OC)N=C2O
2D SMILESCOc1cc2c3c(cc4c(O)cccc4c3c1OC)N=C2O
IUPAC name14,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-6,11-diol
InChIInChI=1S/C17H13NO4/c1-21-13-7-10-14-11(18-17(10)20)6-9-8(4-3-5-12(9)19)15(14)16(13)22-2/h3-7,19H,1-2H3,(H,18,20)
InChIKeyKUZNZVMKXPBYIB-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkN1=Cc2cccc3c4ccccc4cc1c23

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Annonaceae  Goniothalamus  Goniothalamus griffithii Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Annonaceae  Fissistigma  Fissistigma balansae Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Annonaceae  Fissistigma  Fissistigma oldhamii Wikidata logo
Ref:
Wikidata logo

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

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Annonaceae  Goniothalamus  Goniothalamus velutinus Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Annonaceae  Goniothalamus  Goniothalamus amuyon Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Alkaloids|Shikimates and PhenylpropanoidsTyrosine alkaloids|PhenanthrenoidsAporphine alkaloids|Phenanthrenes

Molecular Properties

Total atom number35
Heavy atom number22
Bond count25
Number of carbons17
Minimal number of rings4
Maximal number of rings12

Molecular Descriptors

NP-likeness score 1
Alogp2.61
Alogp26.83
Apol 42.8963
Bpol 19.3637
EccentricConnectivityIndexDescriptor 306
FmfDescriptor 0.7273
Fsp3 0.1176
FragmentComplexityDescriptor 982.05
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber870
Xlogp 2.961
ZagrebIndex 126
TopoPSA 71.28