Gracilamine

AlkaPlorer ID: AK299620

Synonym: None

IUPAC Name: None

Structure

SMILES: CCOC(=O)C1(CC(C)C)NC2C3=CC4=C(C=C3C35CCN(C)C3CC(O)C1C25)OCO4

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InChI: InChI=1S/C25H34N2O5/c1-5-30-23(29)25(11-13(2)3)20-16(28)10-19-24(6-7-27(19)4)15-9-18-17(31-12-32-18)8-14(15)22(26-25)21(20)24/h8-9,13,16,19-22,26,28H,5-7,10-12H2,1-4H3

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InChIKey: AKSUXRWEXSHAPE-UHFFFAOYSA-N

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Reference

CAS: 879561-55-4

Source

Properties Information

Molecule Weight: 442.55600000000027

TPSA: 80.26

MolLogP: 2.3601

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information