기본 정보
- CAS
22860-72-6- 표준 SMILES
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
WLDSVYQTJXGHOT-GSVZXUNASA-N- 분자식
- C22H22O12
- 평균 분자량
- 478.4 g/mol
- 단동위원소 질량
- 478.11112613
개요
Pedaliin is a glycoside and a member of flavonoids.
이름 및 식별자
- 우선 이름
- 2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
- IUPAC
- 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- 현지명
- 글루코실-6-페달린
- 영어명
- Pedaliin
- 분자식
- C22H22O12
- 분자량
- 478.41
이름 및 동의어
22860-72-6DTXSID901120686RefChem:1061006DTXCID5015522392-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-onePedaliinPEDALITIN 6-O-GLUCOSIDE2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5 -hydroxy-7-methoxy-6-Hydroxyluteolin 7-methyl ether 6-glucosidepedalitin-6-O-glucosideorb1681186
이름 더 보기
글루코실-6-페달린PedalinGlucosyl-6-pedalitin2-(3,4-Dihydroxyphenyl)-6-(β-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-(β-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-
orb3054543SCHEMBL9063808CHEMBL1272196CHEBI:191737HY-N9588LMPK12111197MFCD00210559TN5546
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 196 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 760
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 녹는점
- 254 °C · 254 °C (decomp)
- 끓는 점
- 844.7 · 844.7±65.0 °C(Predicted)
- 밀도
- 1.674 · 1.674±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.38 · 5.38±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
응용 분야
출처Pedaliin is a natural product found in Pterogyne nitens, Dracocephalum tanguticum, and Sesamum indicum with data available.
공급사23 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
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四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
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