Name: Herkinorin
Rating: 5 (10 reviews)

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HIT ID:HIT212972265
Cas No:862073-77-6
常用名:Herkinorin
别名:BF3DNCA methyl ester
IUPAC:methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(benzoyloxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-carboxylate
IUPAC:methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(benzoyloxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-carboxylate
InChI key:PYDQMXRFUVDCHC-XAGHGKQISA-N

分子式:C28H30O8
分子量:494.54
氢键供体数 (HBD):0
氢键受体数 (HBA):4
LogP:4.443188
SMILES:COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
SMILES:COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1

Herkinorin is an opioid analgesic and an analogue of the natural product Salvinorin A. herkinorin is a μ-opioid agonist with more than 100x higher μ-opioid affinity and 50x lower κ-opioid affinity compared to Salvinorin A. Herkinorin is a semi-synthetic compound, made from Salvinorin B, which is most conveniently made from Salvinorin A by deacetylation, as while both Salvinorin A and Salvinorin B are found in the plant Salvia divinorum, Salvinorin A is present in larger quantities.

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