General Information of the Compound
| Compound ID |
CP0096567
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| Compound Name |
7-(2'-spiroindanyl)oxymorphone
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| Synonyms |
1',3',7,7a,8,9-Hexahydro-3,7a-dihydroxy-12-methylspiro(6H-8,9c-(iminoethano)phenanthro(4,5-bcd)furan-6,2'-(2H)inden)-5(4aH)-one (4aR-(4aalpha,7aalpha,8alpha,9calpha))-
150380-34-0
7-(2''-spiroindanyl)oxymorphone
7-(2'-spiroindanyl)oxymorphone
7-(Spiroindano)Oxymorphone
7-Spiroindanyloxymorphone
BDBM50297170
CHEMBL399708
SCHEMBL12013205
SIOM
SPIROINDANYLOXYMORPHONE
Spiro(6H-8,9c-(iminoethano)phenanthro(4,5-bcd)furan-6,2'-(2H)inden)-5(4aH)-one, 1',3',7,7a,8,9-hexahydro-3,7a-dihydroxy-12-methyl-, (4aR-(4aalpha
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| Structure |
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| Formula |
C25H25NO4
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| Molecular Weight |
403.478
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| Canonical SMILES |
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O
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| InChI |
InChI=1S/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18-,22+,24+,25-/m1/s1
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| InChIKey |
YJWDKWRVFJZBCJ-QVJDATKISA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01526, Delta-type opioid receptor
Protein ID: PT01791, Delta-type opioid receptor
Protein ID: PT01460, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor
Clinical Information about the Compound