Q105173562

[object Object]
Name(1s,11r,13r,16s,18s)-11,18-dimethoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
WikidataQ105173562
Mol. formulaC19H23NO5
CAS registry number-
Mol. weight345.3903

Representations

Temporary LOTUS idLTS0141178
Name(1s,11r,13r,16s,18s)-11,18-dimethoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
Canonical SMILESCO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](OC)O[C@H]2CN(C)[C@H]3C1)OCO5
2D SMILESCOC1C=CC23c4cc5c(cc4C(OC)OC2CN(C)C3C1)OCO5
IUPAC name(1S,11R,13R,16S,18S)-11,18-dimethoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
InChIInChI=1S/C19H23NO5/c1-20-9-17-19(5-4-11(21-2)6-16(19)20)13-8-15-14(23-10-24-15)7-12(13)18(22-3)25-17/h4-5,7-8,11,16-18H,6,9-10H2,1-3H3/t11-,16+,17+,18-,19+/m1/s1
InChIKeyMWGLYQGPZVUKHO-HVEWUWHJSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1c2cc3c(cc2OC1)C45C=CCCC5NCC4OC3

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Amaryllidaceae  Narcissus  Narcissus tazetta Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Amaryllidaceae  Lycoris  Lycoris squamigera Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
AlkaloidsTyrosine alkaloidsAmarylidaceae alkaloids

Molecular Properties

Total atom number48
Heavy atom number25
Bond count29
Number of carbons19
Minimal number of rings5
Maximal number of rings15

Molecular Descriptors

NP-likeness score 1
Alogp1.3
Alogp21.68
Apol 53.8862
Bpol 36.7038
EccentricConnectivityIndexDescriptor 435
FmfDescriptor 0.8
Fsp3 0.5789
FragmentComplexityDescriptor 2104.06
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber1256
Xlogp 1.56
ZagrebIndex 148
TopoPSA 49.39