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Grandilodine C

AlkaPlorer ID: AK051339

Synonym: 'grandilodine C', 'Methyl (1R,9R,12R,21R)-15,20-dioxo-19-oxa-8,16-diazahexacyclo10.6.4.01,9.02,7.09,21.012,16docosa-2,4,6,13-tetraene-8-carboxylate'

IUPAC Name: methyl (1R,9R,12R,21R)-15,20-dioxo-19-oxa-8,16-diazahexacyclo[10.6.4.01,9.02,7.09,21.012,16]docosa-2,4,6,13-tetraene-8-carboxylate

Structure

SMILES: COC(=O)N1C2=CC=CC=C2[C@]23CCN4C(=O)C=C[C@]45CC[C@]12[C@@H](C5)C(=O)O3

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InChI: InChI=1S/C21H20N2O5/c1-27-18(26)23-15-5-3-2-4-13(15)21-10-11-22-16(24)6-7-19(22)8-9-20(21,23)14(12-19)17(25)28-21/h2-7,14H,8-12H2,1H3/t14-,19+,20+,21+/m0/s1

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InChIKey: STACHDUHGOCYFP-RKTMXUFFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Kopsia grandifolia Kopsia Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 380.4000000000002

TPSA？: 76.15

MolLogP？: 2.1049

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens KB/VJ300 IC50 4.11 ug.mL-1 10.1021/np200008g

Metabolism Information