기본 정보
- CAS
58449-06-2- 표준 SMILES
COc1cc(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc1ccccc1- InChIKey
LQHGGFQNRNEFIG-UHFFFAOYSA-N- 분자식
- C23H22O5
- 평균 분자량
- 378.4 g/mol
- 단동위원소 질량
- 378.1467238
개요
Uvaretin is a member of the class of dihydrochalcones that is 1,3-diphenylpropan-1-one in which the phenyl group that is bonded to the carbonyl group is substituted by hydroxy groups at positions 2 and 4, an o-hydroxybenzyl group at position 3, and a methoxy group at position 6. A cytotoxic natural product found particularly in Uvaria acuminata and Uvaria chamae. It has a role as an antineoplastic agent and a plant metabolite. It is a polyketide, a resorcinol, an aromatic ether and a member of dihydrochalcones.
이름 및 식별자
- 우선 이름
- Uvaretin
- IUPAC
- 1-[2,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylpropan-1-one
- 영어명
- 1-[2,4-Dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenyl-1-propanone
- 분자식
- C23H22O5
- 분자량
- 378.42
이름 및 동의어
Uvaretin58449-06-21-(2,4-Dihydroxy-3-(2-hydroxybenzyl)-6-methoxyphenyl)-3-phenyl-1-propanoneVZ5C9UL7V11-[2,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylpropan-1-oneNSC-241906CHEBI:9915DTXSID502071481-(2,4-Dihydroxy-3-((2-hydroxyphenyl)methyl)-6-methoxyphenyl)-3-phenyl-1-propanone1-[2,4-Dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenyl-1-propanone1-{2,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl}-3-phenylpropan-1-one1-(2,4-dihydroxy-3-((2-hydroxyphenyl)methyl)-6-methoxyphenyl)-3-phenylpropan-1-one
이름 더 보기
RefChem:193429DTXCID50129639NSC2419061-Propanone, 1-[2,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenyl-1-PROPANONE, 1-(2,4-DIHYDROXY-3-((2-HYDROXYPHENYL)METHYL)-6-METHOXYPHENYL)-3-PHENYL-NSC 241906UNII-VZ5C9UL7V1NCIMech_000569
데이터베이스 식별자
- CAS
58449-06-2- PubChem CID
- 73447
- DTXSID
DTXSID50207148- ChEMBL
CHEMBL523296- ChEBI
CHEBI:9915- UNII
- VZ5C9UL7V1
- Nikkaji
- J10.305E
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 87 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 489
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
화학 및 산업
추가 설명
정의ChEBI: A natural product found particularly in Uvaria acuminata and Uvaria chamae.
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