Aknadicine

AlkaPlorer ID: AK036295

Synonym: '', 'Aknadicine'

IUPAC Name: (1S,10S)-3-hydroxy-4,11,12-trimethoxy-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one

Structure

SMILES: COC1=C(OC)[C@]23CCC4=CC=C(OC)C(O)=C4[C@]2(CCN3)CC1=O

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InChI: InChI=1S/C19H23NO5/c1-23-13-5-4-11-6-7-19-17(25-3)16(24-2)12(21)10-18(19,8-9-20-19)14(11)15(13)22/h4-5,20,22H,6-10H2,1-3H3/t18-,19+/m0/s1

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InChIKey: KTRLYLXLXTXHPM-RBUKOAKNSA-N

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Source

Properties Information

Molecule Weight: 345.3950000000001

TPSA: 77.02000000000001

MolLogP: 1.7940999999999998

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