3-{5-hydroxy-5-[4-hydroxy-8-(hydroxymethyl)-3-methoxy-13-oxotricyclo[7.6.1.0?,¹?]hexadeca-1(16),2,4-trien-10-yn-12-yl]pentyl}-decahydroquinolin-7-one
AlkaPlorer ID: AK509176
Synonym: None
IUPAC Name: 3-[5-hydroxy-5-[4-hydroxy-8-(hydroxymethyl)-3-methoxy-13-oxo-12-tricyclo[7.6.1.05,16]hexadeca-1,3,5(16)-trien-10-ynyl]pentyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-one
Structure
SMILES: COC1=CC2=C3C(=C1O)CCC(CO)C3C#CC(C(O)CCCCC1CNC3CC(=O)CCC3C1)C(=O)CC2
InChI: InChI=1S/C32H43NO6/c1-39-30-15-21-8-13-29(37)25(12-11-24-22(18-34)7-10-26(31(21)24)32(30)38)28(36)5-3-2-4-19-14-20-6-9-23(35)16-27(20)33-17-19/h15,19-20,22,24-25,27-28,33-34,36,38H,2-10,13-14,16-18H2,1H3
InChIKey: RDKDDWLDWFNWIG-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 537.6970000000003
TPSA？: 116.09
MolLogP？: 3.4426000000000023
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 5
Activities Information
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