메틸브레비폴린카르복실레이트
Cyclopenta(c)(2)benzopyran-1-carboxylic acid, 1,2,3,5-tetrahydro-7,8,9-trihydroxy-3,5-dioxo-, methyl ester
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기본 정보
- CAS
154702-76-8- 표준 SMILES
COC(=O)C1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21- InChIKey
JNWDNAASYHRXMG-UHFFFAOYSA-N- 분자식
- C14H10O8
- 평균 분자량
- 306.22 g/mol
- 단동위원소 질량
- 306.03756727
개요
Methyl brevifolincarboxylate is an organic heterotricyclic compound that is 1,2,3,5-tetrahydrocyclopenta[c]isochromene substituted by hydroxy groups at positions 7, 8 and 9, oxo groups at positions 3 and 5 and a methoxycarbonyl group at position 1. Isolated from Phyllanthus urinaria and Phyllanthus niruri, it exhibits vasorelaxant activity. It has a role as a metabolite, a vasodilator agent, a radical scavenger, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, a platelet aggregation inhibitor and an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor. It is a delta-lactone, an organic heterotricyclic compound, a member of phenols and a cyclic ketone.
이름 및 식별자
- 우선 이름
- Cyclopenta(c)(2)benzopyran-1-carboxylic acid, 1,2,3,5-tetrahydro-7,8,9-trihydroxy-3,5-dioxo-, methyl ester
- IUPAC
- methyl 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate
- 현지명
- 메틸브레비폴린카르복실레이트
- 영어명
- methyl brevifolincarboxylate
- 분자식
- C14H10O8
- 분자량
- 306.22
이름 및 동의어
Methyl brevifolincarboxylate154702-76-8CHEBI:66711methyl 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylateCyclopenta[c][2]benzopyran-1-carboxylic acid, 1,2,3,5-tetrahydro-7,8,9-trihydroxy-3,5-dioxo-, methyl estermethyl 7,8,9-trihydroxy-3,5-dioxo-1,2,3,5-tetrahydrocyclopenta[c]isochromene-1-carboxylatemethyl 7,8,9-trihydroxy-3,5-dioxo-1,2,3,5-tetrahydrocyclopenta(c)isochromene-1-carboxylatemethyl 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta(c)isochromene-1-carboxylateCyclopenta(c)(2)benzopyran-1-carboxylic acid, 1,2,3,5-tetrahydro-7,8,9-trihydroxy-3,5-dioxo-, methyl esterRefChem:919420methylbrevifolin carboxylateCHEMBL567076
이름 더 보기
메틸브레비폴린카르복실레이트methyl brevifolincarboxylate USP/EP/BP
orb1693488SCHEMBL28538783DTXSID20935047HY-N7647AKOS040755436DA-75474CS-0134956G88995
물성
구조 계산 물성보충 중
- XLogP
- -0.1
- 극성 표면적
- 130 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 579
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
화학 및 산업
추가 설명
정의ChEBI: An organic heterotricyclic compound that is 1,2,3,5-tetrahydrocyclopenta[c]isochromene substituted by hydroxy groups at positions 7, 8 and 9, oxo groups at positions 3 and 5 and a methoxycarbonyl group at position 1. Isolated from Phyll nthus urinaria and Phyllanthus niruri, it exhibits vasorelaxant activity.
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