crepidamine

AlkaPlorer ID: AK012878

Synonym: None

IUPAC Name: None

Structure

SMILES: O=C(C[C@@]1(N2CCC[C@@]2(C[C@]([H])([C@]1(C3=CC=CC=C3)O)C)[H])[H])C

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InChI: InChI=1S/C18H25NO2/c1-13-11-16-9-6-10-19(16)17(12-14(2)20)18(13,21)15-7-4-3-5-8-15/h3-5,7-8,13,16-17,21H,6,9-12H2,1-2H3/t13-,16-,17+,18-/m1/s1

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InChIKey: FSRWSNKMDQDICY-NKGKWGDASA-N

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Source

Properties Information

Molecule Weight: 287.4030000000001

TPSA: 40.540000000000006

MolLogP: 2.7261000000000015

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information