Akuammicine; (-)-form, 11-Methoxy

AlkaPlorer ID: AK283641

Synonym: 11-Methoxyakuammicine

IUPAC Name: methyl 12-ethylidene-5-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate

Structure

SMILES: CC=C1CN2CCC34C(=C(C(=O)OC)C1CC23)NC1=CC(OC)=CC=C14

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InChI: InChI=1S/C21H24N2O3/c1-4-12-11-23-8-7-21-15-6-5-13(25-2)9-16(15)22-19(21)18(20(24)26-3)14(12)10-17(21)23/h4-6,9,14,17,22H,7-8,10-11H2,1-3H3

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InChIKey: AWDINAQEZMNGBT-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 352.4340000000001

TPSA: 50.8

MolLogP: 2.839700000000001

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information