Chiloenine; 7,8-Dihydro

AlkaPlorer ID: AK292227

Synonym: Chiloenamine

IUPAC Name: methyl 2-[6-[2-(dimethylamino)ethyl]-9-hydroxy-8-methoxy-1-oxo-3H-benzo[e][2]benzofuran-3-yl]acetate

Structure

SMILES: COC(=O)CC1OC(=O)C2=C1C=CC1=C(CCN(C)C)C=C(OC)C(O)=C21

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InChI: InChI=1S/C20H23NO6/c1-21(2)8-7-11-9-15(25-3)19(23)17-12(11)5-6-13-14(10-16(22)26-4)27-20(24)18(13)17/h5-6,9,14,23H,7-8,10H2,1-4H3

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InChIKey: OOAOKHTXPLSOIK-UHFFFAOYSA-N

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Reference

PubChem CID: 163063610

COCONUT: CNP0354038.1

Properties Information

Molecule Weight: 373.40500000000014

TPSA: 85.30000000000001

MolLogP: 2.432700000000001

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information