기본 정보
- CAS
862073-77-6- 표준 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](c3ccoc3)C[C@]21C- InChIKey
PYDQMXRFUVDCHC-XAGHGKQISA-N- 분자식
- C28H30O8
- 평균 분자량
- 494.5 g/mol
- 단동위원소 질량
- 494.19406792
개요
structure in first source
이름 및 식별자
- 우선 이름
- Herkinorin
- IUPAC
- methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-benzoyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
- 영어명
- Herkinorin
- 분자식
- C28H30O8
- 분자량
- 494.53
이름 및 동의어
herkinorin862073-77-6BF3DNCA methyl ester5XN29VGR249-(benzoyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho(2,1-c)pyran-7-carboxylic acid methyl esterDTXSID30235444RefChem:145800DTXCID30157935UNII-5XN29VGR24CHEMBL363324methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-benzoyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylateorb1700407
이름 더 보기
Herkinorin, mu opioid agonist2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 9-(benzoyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-
SCHEMBL3540059PYDQMXRFUVDCHC-XAGHGKQISA-NC28H30O8BDBM50170678MFCD10574986AKOS040748524DA-74096HY-121415
데이터베이스 식별자
- CAS
862073-77-6
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 909
물리화학적 성질
- 녹는점
- 165 · 165-170 °C
- 끓는 점
- 635.6 · 635.6±55.0 °C(Predicted)
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 1 mg/ml; · Acetonitrile: 1 mg/ml; DMF: 1 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 2 mg/ml
- 물리적 상태
- 결정성 고체
- 색상
- white
안전 및 규제
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Herkinorin (Item No. 20925) is an analytical reference standard that is functionally categorized as an opioid. It is a natural neoclerodane diterpene from S. divinorum that preferentially activates the μ-opioid receptor. Unlike the peptide DAMGO , herkinorin activates μ-opioid receptors without inducing arrestin-mediated receptor internalization. Herkinorin has antinociceptive effects in rats. It has been identified as a novel psychoactive substance in multiple agitated emergency department patients screened in a non-targeted manner. This product is intended for research and forensic applications.
용도Herkinorin is an opioid analgesic and an analogue of Salvinorin A (S100900). Salvinorin A is a potent and selective kappa-opioid receptor agonist.
공급사6 곳
Aladdin Scientific[email protected]
Ascent Scientific4401179829988 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Henan Bao Enluo International TradeCo.，LTD+86-17331933971 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
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