Epigalantamine

C17H21NO3 — CID 676392

IUPAC(1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
SMILESCN1CC[C@@]23C=C[C@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O
InChIInChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14+,17+/m1/s1
InChIKeyASUTZQLVASHGKV-IFIJOSMWSA-N
MW287.35 g/mol
LogP1.80
Rot. Bonds1

About Epigalantamine

Epigalantamine (PubChem CID 676392) has the molecular formula C17H21NO3 and a molecular weight of 287.35 g/mol. Its IUPAC name is (1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol.

Molecular Properties

Compound NameEpigalantamine
PubChem CID676392
Molecular FormulaC17H21NO3
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name(1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
SMILESCN1CC[C@@]23C=C[C@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O
InChIInChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14+,17+/m1/s1
InChIKeyASUTZQLVASHGKV-IFIJOSMWSA-N
XLogP1.80
TPSA41.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity440

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(-)-Galantamine
CID 9651
Galantamine Hydrobromide
CID 121587
N-Desmethylgalantamine
CID 9838394
Galantamin
CID 3449
Sanguinine
CID 443722
Hemanthamine
CID 441593
Crinamin
CID 500027
Lycoramine
CID 443723
Narwedine
CID 10356588
N-(14-methylallyl)norgalanthamine
CID 24863955
N-Allylnorgalanthamine
CID 44447598
Benzgalantamine
CID 44240142

Frequently Asked Questions

What is the IUPAC name of Epigalantamine?
The IUPAC name of Epigalantamine (CID 676392) is (1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol.
What is the SMILES notation for Epigalantamine?
The canonical SMILES for Epigalantamine is CN1CC[C@@]23C=C[C@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O.
What is the InChIKey of Epigalantamine?
The InChIKey is ASUTZQLVASHGKV-IFIJOSMWSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14+,17+/m1/s1.
What are the key properties of Epigalantamine?
Epigalantamine has a molecular weight of 287.35 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Epigalantamine is sourced from PubChem (CID 676392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).