Celastrol(ID:10117-101) R1626
HMS LINCS ID: |
10117-101 |
Name: |
Celasdivol |
Alternative Names: |
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LINCS ID: |
LSM-1117 |
PubChem CID: |
5315765 |
ChEBI ID: |
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ChEMBL ID: |
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Molecular Mass: |
450.28 |
InChi: |
InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29?/m1/s1 |
InChi Key: |
KQJSQWZMSAGSHN-NPIVXRNBSA-N |
SMILES: |
CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CCC4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O |
Relevant Citations: |
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Date Publicly Available: |
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Most Recent Update: |
2016-04-04 |
PMID: 9369342