기본 정보
- CAS
20716-96-5- 표준 SMILES
Cc1cc(O)c(Cl)c2oc3c(Cl)c(O)c(Cl)c(O)c3c(=O)c12- InChIKey
NTAXLEHKEDVPRK-UHFFFAOYSA-N- 분자식
- C14H7Cl3O5
- 평균 분자량
- 361.6 g/mol
- 단동위원소 질량
- 359.935906
개요
Arthothelin is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6, chloro groups at positions 2, 4 and 5 and a methyl group at position 8. It has been isolated from the lichen, Lecanora iseana. It has a role as a lichen metabolite. It is a polyphenol, an organochlorine compound and a member of xanthones.
이름 및 식별자
- 우선 이름
- Arthothelin
- IUPAC
- 2,4,5-trichloro-1,3,6-trihydroxy-8-methylxanthen-9-one
- 영어명
- 2,4,5-Trichloro-1,3,6-trihydroxy-8-methyl-9H-xanthen-9-one
- 분자량
- 0
이름 및 동의어
ARTHOTHELIN2,4,5-trichloro-1,3,6-trihydroxy-8-methylxanthen-9-one2,4,5-Trichloro-1,3,6-trihydroxy-8-methyl-9H-xanthen-9-one2,4,5-trichloronorlichexanthoneCHEBI:144075DTXSID60174776NSC 295145Xanthen-9-one, 2,4,7-trichloro-1,3,6-trihydroxy-8-methyl-9H-Xanthen-9-one, 2,4,5-trichloro-1,3,6-trihydroxy-8-methyl-Xanthen-9-one, 2,4,5-trichloro-1,3,6-trihydroxy-8-methyl-9H-Xanthen-9-one, 2,4,7-trichloro-1,3,6-trihydroxy-8-methyl-RefChem:114278
이름 더 보기
DTXCID8097267NTAXLEHKEDVPRK-UHFFFAOYSA-N20716-96-59H-Xanthen-9-one, 2,4,5-trichloro-1,3,6- trihydroxy-8-methyl-NSC295145NSC-295145Xanthen-9-one,4,7-trichloro-1,3,6-trihydroxy-8-methyl-9H-Xanthen-9-one,4,5-trichloro-1,3,6-trihydroxy-8-methyl-
데이터베이스 식별자
- CAS
20716-96-5- PubChem CID
- 5359039
- DTXSID
DTXSID60174776- ChEBI
CHEBI:144075
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 87 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 464
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…