Q105025214

[object Object]
Name7-methoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinoline-8,11-diol
WikidataQ105025214
Mol. formulaC17H19NO3
CAS registry number-
Mol. weight285.3383

Representations

Temporary LOTUS idLTS0273536
Name7-methoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinoline-8,11-diol
Canonical SMILESCOc1cc2c(cc1O)C13CC(O)C=CC1=CCN3CC2
2D SMILESCOc1cc2c(cc1O)C13CC(O)C=CC1=CCN3CC2
IUPAC name7-methoxy-2H,4H,5H,10H,11H-indolo[7a,1-a]isoquinoline-8,11-diol
InChIInChI=1S/C17H19NO3/c1-21-16-8-11-4-6-18-7-5-12-2-3-13(19)10-17(12,18)14(11)9-15(16)20/h2-3,5,8-9,13,19-20H,4,6-7,10H2,1H3
InChIKeyHBCNXWUNPXIERK-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 folkersii Wikidata logo
Ref:
Wikidata logo

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

Chemical ontology


PathwaySuperclassClass
AlkaloidsLysine alkaloidsIndolizidine alkaloids

Molecular Properties

Total atom number40
Heavy atom number21
Bond count24
Number of carbons17
Minimal number of rings4
Maximal number of rings10

Molecular Descriptors

NP-likeness score 1
Alogp1.6
Alogp22.56
Apol 46.0951
Bpol 24.6669
EccentricConnectivityIndexDescriptor 326
FmfDescriptor 0.8095
Fsp3 0.4118
FragmentComplexityDescriptor 1429.04
PetitjeanNumber 0.4444
LipinskiRuleOf5Failures 0
WienerPathNumber789
Xlogp 0.873
ZagrebIndex 122
TopoPSA 52.93