(1S,1'R,2'S,3'R,4S,4'R,7'S,8'S,10'R)-3'-hydroxy-4-[(3-{[(2S)-2-hydroxypropyl]amino}phenyl)methyl]-4'-methoxy-1',2'-dimethylspiro[cyclopentane-1,13'-tetracyclo[6.5.0.0²,¹⁰.0³,⁷]tridecane]-6'-one
AlkaPlorer ID: AK590672
Synonym: None
IUPAC Name: 3'-hydroxy-3-[[3-(2-hydroxypropylamino)phenyl]methyl]-4'-methoxy-1',2'-dimethylspiro[cyclopentane-1,13'-tetracyclo[6.5.0.02,10.03,7]tridecane]-6'-one
Structure
SMILES: COC1CC(=O)C2C3CC4CCC5(CCC(CC6=CC=CC(NCC(C)O)=C6)C5)C3(C)C4(C)C12O
InChI: InChI=1S/C30H43NO4/c1-18(32)17-31-22-7-5-6-19(13-22)12-20-8-10-29(16-20)11-9-21-14-23-26-24(33)15-25(35-4)30(26,34)27(21,2)28(23,29)3/h5-7,13,18,20-21,23,25-26,31-32,34H,8-12,14-17H2,1-4H3
InChIKey: ZGCMGGKQYCJUHJ-UHFFFAOYSA-N
Reference
Cytotoxic Naphthoquinones from <i>Alkanna cappadocica</i>
PubChem CID: 163181410
COCONUT: CNP0477525.1
Source
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Properties Information
Molecule Weight: 481.6770000000002
TPSA？: 78.79
MolLogP？: 4.599500000000004
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 6
Activities Information
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