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CHEBI:757891 - orp-101

Default Structure
ChEBI IDCHEBI:757891
ChEBI Nameorp-101
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC60H84N2O8
Net Charge0
Average Mass961.338
Monoisotopic Mass960.62277
SMILES[H][C@]1([C@](C)(O)C(C)(C)C)C[C@@]23CC[C@]1(OC)[C@]1([H])Oc4c(OCCOc5ccc6c7c5O[C@@]5([H])[C@@]8(OC)CC[C@@]9(C[C@]8([H])[C@](C)(O)C(C)(C)C)[C@@H](C6)N(CC6CC6)CC[C@@]795)ccc5c4[C@]21CCN(CC1CC1)[C@@H]3C5
InChIInChI=1S/C60H84N2O8/c1-51(2,3)53(7,63)41-31-55-19-21-59(41,65-9)49-57(55)23-25-61(33-35-11-12-35)43(55)29-37-15-17-39(47(69-49)45(37)57)67-27-28-68-40-18-16-38-30-44-56-20-22-60(66-10,42(32-56)54(8,64)52(4,5)6)50-58(56,46(38)48(40)70-50)24-26-62(44)34-36-13-14-36/h15-18,35-36,41-44,49-50,63-64H,11-14,19-34H2,1-10H3/t41-,42-,43-,44-,49-,50-,53+,54+,55-,56-,57+,58+,59-,60-/m1/s1
InChIKeyLEQOVFCHMOTJKU-WJVXOHEGSA-N
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application:
antispasmodic drug  A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
ChEBI Ontology
Outgoing Relation(s)
orp-101 (CHEBI:757891) has role antispasmodic drug (CHEBI:53784)
orp-101 (CHEBI:757891) is a phenanthrenes (CHEBI:25961)
Synonyms  Source
Buprenorphine dimerChEMBL
Orp-101ChEMBL