Androbine

AlkaPlorer ID: AK170664

Synonym: ''

IUPAC Name: (10S)-3,4,17-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-5,16-diol

Structure

SMILES: COC1=C(O)C=C2CC[C@H]3C4=C(C=C(O)C(OC)=C4C2=C1OC)CCN3C

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InChI: InChI=1S/C21H25NO5/c1-22-8-7-12-10-14(23)19(25-2)18-16(12)13(22)6-5-11-9-15(24)20(26-3)21(27-4)17(11)18/h9-10,13,23-24H,5-8H2,1-4H3/t13-/m0/s1

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InChIKey: UPDCPGFCIDXGDU-ZDUSSCGKSA-N

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Source

Properties Information

Molecule Weight: 371.4330000000002

TPSA: 71.39

MolLogP: 3.2658000000000014

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