기본 정보
- CAS
35818-31-6- 표준 SMILES
CC1CCCC(CC2Cc3cc(O)cc(O)c3C(=O)O2)O1- InChIKey
WOMKDMUZNBFXKG-UHFFFAOYSA-N- 분자식
- C16H20O5
- 평균 분자량
- 292.33 g/mol
- 단동위원소 질량
- 292.13107373
개요
cladosporin has been reported in Alternaria alternata, Chaetomium globosum, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-
- IUPAC
- 6,8-dihydroxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydroisochromen-1-one
이름 및 동의어
AsperentinCladosporin; Asperentin6,8-dihydroxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydroisochromen-1-oneIsocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-SCHEMBL3362699DTXSID909572113,4-dihydro-6,8-dihydroxy-3-(6-methyltetrahydropyran- 2-ylmethyl)isocoumarinWOMKDMUZNBFXKG-UHFFFAOYSA-N1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-[(tetrahydro-6-methyl-2H-pyran-2-yl)methyl]-, [2R-[2.alpha.(R*),6.beta.]]-BS-10296,8-dihydroxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydro-1H-2-benzopyran-1-one1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-[(tetrahydro-6-methyl-2H-pyran-2-yl)methyl]-
이름 더 보기
1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-[(tetrahydro-6-methyl-2H-pyran-2-yl)methyl]-, [2R-[2.alpha.(R),6.beta.]]-3,4-dihydro-6,8-dihydroxy3[(tetrahydro-6-methyl-2h-pyran-2-yl)methyl]-1h-2-benzopyran-1-one6,8-Dihydroxy-3-[(6-methyltetrahydro-2H-pyran-2-yl)methyl]-3,4-dihydro-1H-isochromen-1-one #
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 76 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 385
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