LOTUS: Natural Products Online

Q27114789

[object Object]

Name	O-desmethylgalantamine
Wikidata	Q27114789
Mol. formula	C16H19NO3
CAS registry number	-
Mol. weight	273.3276

Representations

Temporary LOTUS id	LTS0170145
Name	O-desmethylgalantamine
Canonical SMILES	CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(O)ccc(c23)C1
2D SMILES	CN1CCC23C=CC(O)CC2Oc2c(O)ccc(c23)C1
IUPAC name	(1S,12S,14R)-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6(17),7,9,15-tetraene-9,14-diol
InChI	InChI=1S/C16H19NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,11,13,18-19H,6-9H2,1H3/t11-,13-,16-/m0/s1
InChIKey	OYSGWKOGUVOGFQ-RBOXIYTFSA-N
Deep SMILES	could not be computed
Murcko Framework	O1c2cccc3c2C4(C=CCCC14)CCNC3

Organism taxonomy

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Amaryllidaceae	Haemanthus	Haemanthus multiflorus
Plantae	Tracheophyta	Amaryllidaceae	Scadoxus	Scadoxus multiflorus

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Crinum	Crinum kirkii

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Lycoris	Lycoris aurea

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Phaedranassa	Phaedranassa dubia

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Lycoris	Lycoris incarnata

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Galanthus	Galanthus elwesii

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Lycoris	Lycoris squamigera

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Lycoris	Lycoris sanguinea

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Lycoris	Lycoris sanguinea

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Lycoris	Lycoris sanguinea

Chemical ontology

Pathway	Superclass	Class
Alkaloids	Tyrosine alkaloids	Amarylidaceae alkaloids

Molecular Properties

Total atom number	39
Heavy atom number	20
Bond count	23
Number of carbons	16
Minimal number of rings	4
Maximal number of rings	12

Molecular Descriptors

NP-likeness score	1
Alogp	1.19
Alogp2	1.42
Apol	44.3351
Bpol	24.6669
EccentricConnectivityIndexDescriptor	272
FmfDescriptor	0.85
Fsp3	0.5
FragmentComplexityDescriptor	1384.04
PetitjeanNumber	0.5
LipinskiRuleOf5Failures	0
WienerPathNumber	662
Xlogp	1.254
ZagrebIndex	118
TopoPSA	52.93