基本情報
- CAS
6287-78-1- 標準SMILES
Cc1cc2c(C(C)C)c(O)c(O)c(C=NCCO)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NCCO)c2c1O- InChIKey
BCYBYJFADLNPHK-UHFFFAOYSA-N- 分子式
- C34H40N2O8
- 平均分子量
- 604.7 g/mol
- 単同位体質量
- 604.27846624
名称と識別子
- 優先名称
- 8-(2-Hydroxyethyliminomethyl)-3-methyl-5-propan-2-yl-2-[1,6,7-trihydroxy-8-(2-hydroxyethyliminomethyl)-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol
- IUPAC
- 8-(2-hydroxyethyliminomethyl)-3-methyl-5-propan-2-yl-2-[1,6,7-trihydroxy-8-(2-hydroxyethyliminomethyl)-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol
名称と別名
6287-78-1NSC119798-(2-Hydroxyethyliminomethyl)-3-methyl-5-propan-2-yl-2-[1,6,7-trihydroxy-8-(2-hydroxyethyliminomethyl)-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triolST004331Glossypol di-OHEtNCHN deriv.CHEMBL1991344DTXSID30417809BDBM731665Gossypol bis(N-(2-hydroxyl)imine)NSC-11979AKOS024274387US20250114359, Inhibitor 13
名称をさらに表示
NCI60_000466(8Z,8'Z)-1,1',6,6'-Tetrahydroxy-8,8'-bis{[(2-hydroxyethyl)amino]methylidene}-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-7,7'(8H,8'H)-dione[2,1',6,6',7,7'-hexol, 8,8'-bis[[(2-hydroxyethyl)imino]methyl]-3,3'-dimethyl- 5,5'-bis(1-methylethyl)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis(hydroxyethyl)methyl)-[2,2'-binaphthalene]7-(1,6-dihydroxy-8-{[(2-hydroxyethyl)amino]methylene}-3-methyl-5-(methylethyl) -7-oxo(2-naphthyl))-3,8-dihydroxy-1-{[(2-hydroxyethyl)amino]methylene}-6-methy l-4-(methylethyl)naphthalen-2-one8-[(E)-2-hydroxyethyliminomethyl]-5-isopropyl-3-methyl-2-[1,6,7-trihydroxy-8-[(E)-2-hydroxyethyliminomethyl]-5-isopropyl-3-methyl-2-naphthyl]naphthalene-1,6,7-triol
データベース識別子
- CAS
6287-78-1
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 187 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 10
- 回転可能結合数
- 9
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 903
関連反応
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