| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| H610890-1mg |
1mg |
期货  |
| |
| H610890-5mg |
5mg |
期货 |
|
| 别名 | 金丝桃素 |
|---|---|
| 英文别名 | CCG-36081 | 1:6:8:10:11:13-hexahydroxy-3:4-dimethyl-meso-naphthodianthrene-7:14-dione | 4,5,7,4',5',7'-Hexahydroxy-2,2'-dimethylnaphthodianthrone | hypericin | DTXSID40203270 | Hypericin & Visible light | LMPK13040001 | NCI60_006799 | M01850 | MFCD0001668 |
| 规格或纯度 | Moligand™ |
| 英文名称 | hypericin |
| INCHI | 1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3 |
|---|---|
| InChi Key | YDOIFHVUBCIUHF-UHFFFAOYSA-N |
| Smiles | CC1=CC(=O)c2c3c1c1C(=CC(=O)c4c1c1c3c3c(c2O)c(O)cc(c3c2c1c(c4O)c(O)cc2O)O)C |
| Isomeric SMILES | CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O |
| PubChem CID | 3663 |
| 分子量 | 504.400 g/mol |
|---|---|
| XLogP3 | 5.700 |
| 氢键供体数Hydrogen Bond Donor Count | 6 |
| 氢键受体数Hydrogen Bond Acceptor Count | 8 |
| 可旋转键计数Rotatable Bond Count | 0 |
| 精确质量Exact Mass | 504.085 Da |
| 单同位素质量Monoisotopic Mass | 504.085 Da |
| 拓扑极表面积Topological Polar Surface Area | 156.000 Ų |
| 重原子数Heavy Atom Count | 38 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 1090.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| 1. Simmen U, Burkard W, Berger K, Schaffner W, Lundstrom K. (1999) Extracts and constituents of Hypericum perforatum inhibit the binding of various ligands to recombinant receptors expressed with the Semliki Forest virus system.. J Recept Signal Transduct Res, 19 (1-4): (59-74). [PMID:10071750] |
| 2. Butterweck V, Nahrstedt A, Evans J, Hufeisen S, Rauser L, Savage J, Popadak B, Ernsberger P, Roth BL. (2002) In vitro receptor screening of pure constituents of St. John's wort reveals novel interactions with a number of GPCRs.. Psychopharmacology (Berl.), 162 (2): (193-202). [PMID:12110997] |
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