N-[2-[5-hydroxy-4-[5-hydroxy-3-[2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]ethyl]-1H-indol-4-yl]-1H-indol-3-yl]ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
기본 정보
- 표준 SMILES
COc1cc(C=CC(O)=NCCc2c[nH]c3ccc(O)c(-c4c(O)ccc5[nH]cc(CCN=C(O)C=Cc6ccc(O)c(OC)c6)c45)c23)ccc1O- InChIKey
URHRFQQPWDNDQE-UHFFFAOYSA-N- 분자식
- C40H38N4O8
- 평균 분자량
- 702.7 g/mol
- 단동위원소 질량
- 702.26896418
개요
N-[2-[5-hydroxy-4-[5-hydroxy-3-[2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]ethyl]-1H-indol-4-yl]-1H-indol-3-yl]ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide has been reported in Carthamus tinctorius with data available.
이름 및 식별자
- 우선 이름
- N-[2-[5-hydroxy-4-[5-hydroxy-3-[2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]ethyl]-1H-indol-4-yl]-1H-indol-3-yl]ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
- IUPAC
- N-[2-[5-hydroxy-4-[5-hydroxy-3-[2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]ethyl]-1H-indol-4-yl]-1H-indol-3-yl]ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 189 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,140
관련 반응
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