Citreopenin

AlkaPlorer ID: AK089632

Synonym: None

IUPAC Name: (4aS)-6-hydroxy-3,4a,5-trimethyl-1,4-dihydrobenzo[f]indole-2,7-dione

Structure

SMILES: CC1=C2C[C@@]3(C)C(=CC(=O)C(O)=C3C)C=C2NC1=O

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InChI: InChI=1S/C15H15NO3/c1-7-10-6-15(3)8(2)13(18)12(17)5-9(15)4-11(10)16-14(7)19/h4-5,18H,6H2,1-3H3,(H,16,19)/t15-/m1/s1

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InChIKey: APLMCDIFIAKMLY-OAHLLOKOSA-N

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Source

Properties Information

Molecule Weight: 257.289

TPSA: 66.4

MolLogP: 2.0677

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information