Isocorcovadine

AlkaPlorer ID: AK319650

Synonym: None

IUPAC Name: [1-[[(2Z,4Z)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]-2-methylpropan-2-yl] acetate

Structure

SMILES: CC(=O)OC(C)(C)CN=C(O)/C=C\C=C/C1=CC=C2OCOC2=C1

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InChI: InChI=1S/C18H21NO5/c1-13(20)24-18(2,3)11-19-17(21)7-5-4-6-14-8-9-15-16(10-14)23-12-22-15/h4-10H,11-12H2,1-3H3,(H,19,21)/b6-4-,7-5-

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InChIKey: QGDBWUXDIODTEX-PEPZGXQESA-N

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Properties Information

Molecule Weight: 331.36800000000017

TPSA: 77.35000000000001

MolLogP: 3.282900000000001

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Cladosporium cladosporioides Cladosporium cladosporioides MIC 2.5 ug 10.1021/np070347g
Cladosporium sphaerospermum Cladosporium sphaerospermum MIC 1.0 ug 10.1021/np070347g

Metabolism Information