Q104914419

[object Object]
Name5,8,11-trimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-7-ol
WikidataQ104914419
Mol. formulaC19H23NO4
CAS registry number-
Mol. weight329.3909

Representations

Temporary LOTUS idLTS0186780
Name5,8,11-trimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-7-ol
Canonical SMILESCOc1cc2c(cc1O)C(OC)CN1CC=C3C=CC(OC)CC321
2D SMILESCOc1cc2c(cc1O)C(OC)CN1CC=C3C=CC(OC)CC321
IUPAC name5,8,11-trimethoxy-2H,4H,5H,10H,11H-indolo[7a,1-a]isoquinolin-7-ol
InChIInChI=1S/C19H23NO4/c1-22-13-5-4-12-6-7-20-11-18(24-3)14-8-16(21)17(23-2)9-15(14)19(12,20)10-13/h4-6,8-9,13,18,21H,7,10-11H2,1-3H3
InChIKeyALXKECNSHBJDOK-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc2c(c1)CCN3CC=C4C=CCCC423

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Erythrina  Erythrina lysistemon Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
AlkaloidsLysine alkaloidsIndolizidine alkaloids

Molecular Properties

Total atom number47
Heavy atom number24
Bond count27
Number of carbons19
Minimal number of rings4
Maximal number of rings10

Molecular Descriptors

NP-likeness score 1
Alogp1.58
Alogp22.51
Apol 53.0842
Bpol 32.8718
EccentricConnectivityIndexDescriptor 370
FmfDescriptor 0.7083
Fsp3 0.4737
FragmentComplexityDescriptor 1948.05
PetitjeanNumber 0.4444
LipinskiRuleOf5Failures 0
WienerPathNumber1125
Xlogp 1.147
ZagrebIndex 136
TopoPSA 51.16