Isoprostephabyssine

AlkaPlorer ID: AK053665

Synonym: '(-)-Isoprostephabyssine', 'isoprostephabyssine'

IUPAC Name: (1R,8R,10S)-3,8-dihydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraen-11-one

Structure

SMILES: COC1=CC[C@]23CCN(C)[C@]2(C[C@@H](O)C2=CC=C(OC)C(O)=C23)C1=O

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InChI: InChI=1S/C19H23NO5/c1-20-9-8-18-7-6-14(25-3)17(23)19(18,20)10-12(21)11-4-5-13(24-2)16(22)15(11)18/h4-6,12,21-22H,7-10H2,1-3H3/t12-,18-,19-/m1/s1

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InChIKey: PJZJZJRRVXCUNC-QQGDVQBRSA-N

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Source

Properties Information

Molecule Weight: 345.3950000000001

TPSA: 79.23000000000002

MolLogP: 1.6530999999999998

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information