Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C37H44ClNO6 |
Molecular Weight | 634.201 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 13 / 13 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12C[C@@]3([H])[C@@]1(O)C4=C5C(NC6=C5[C@@]([H])(OC3(C)C)[C@]7([H])CC[C@@]8(O)[C@@]9%10O[C@@H]9[C@@H](O)[C@H](O[C@@]%10([H])CC[C@]8(C)[C@@]67C)C(C)=C)=CC(Cl)=C4CC2=C
InChI
InChIKey=JDUWHZOLEDOQSR-JKPSMKLGSA-N
InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: map04010 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29037868 |
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Target ID: CHEMBL2109243 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21924313 |
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Target ID: CHEMBL2093872 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21924313 |
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354845
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6610243
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Penitrem A
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DTXSID00320093
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12627-35-9
Created by
admin on Sat Dec 16 10:03:30 GMT 2023 , Edited by admin on Sat Dec 16 10:03:30 GMT 2023
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244AU85PR7
Created by
admin on Sat Dec 16 10:03:30 GMT 2023 , Edited by admin on Sat Dec 16 10:03:30 GMT 2023
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SUBSTANCE RECORD