7-Demethyl A80915B

AlkaPlorer ID: AK406376

Synonym: None

IUPAC Name: 3,4a-dichloro-10a-[(3-chloro-2,2-dimethyl-6-methylidenecyclohexyl)methyl]-9-diazo-6-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,8,10-trione

Structure

SMILES: C=C1CCC(Cl)C(C)(C)C1CC12OC(C)(C)C(Cl)CC1(Cl)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C=C1O

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InChI: InChI=1S/C25H27Cl3N2O5/c1-11-6-7-15(26)22(2,3)12(11)9-25-21(34)18-17(13(31)8-14(32)19(18)30-29)20(33)24(25,28)10-16(27)23(4,5)35-25/h8,12,15-16,31H,1,6-7,9-10H2,2-5H3

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InChIKey: HYDZZTKLIACTQZ-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 541.8590000000003

TPSA: 117.07

MolLogP: 4.642800000000003

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information