基本情報
- CAS
91682-96-1- 標準SMILES
C/C=C(C)/C=C/C=C/[C@H](OC)[C@@H](C)[C@@H](OC)[C@@H](C)CCc1oc2c(O)c(OC)cc(OC)c2c(=O)c1C- InChIKey
UZHDGDDPOPDJGM-CVOZLMQJSA-N- 分子式
- C30H42O7
- 平均分子量
- 514.6 g/mol
- 単同位体質量
- 514.29305367
概要
Stigmatellin A is a member of the class of chromones that is isolated from Stigmatella aurantiaca Sg a15. It has a role as a quinol oxidation site inhibitor and a bacterial metabolite. It is a member of chromones, a member of phenols, an aromatic ether and an olefinic compound.
名称と識別子
- 優先名称
- Stigmatellin
- IUPAC
- 2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl]-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-one
名称と別名
stigmatellin astigmatellin91682-96-12-[(3S,4S,5S,6S,7E,9E,11E)-4,6-Dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl]-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-oneCHEBI:32155DTXSID409039402-((3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyl-trideca-7,9,11-trienyl)-8-hydroxy-5,7-dimethoxy-3-methyl-chromen-4-one2-((3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl)-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-one2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyl-trideca-7,9,11-trienyl]-8-hydroxy-5,7-dimethoxy-3-methyl-chromen-4-one4H-1-Benzopyran-4-one, 2-(4,6-dimethoxy-3,5,11-trimethyl-7,9,11-tridecatrienyl)-8-hydroxy-5,7-dimethoxy-3-methyl-RefChem:185767DTXCID20889778
名称をさらに表示
2-((7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl)-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-oneCHEMBL48655694234-27-2AC1L9LCK2yiuSCHEMBL2619157SCHEMBL314488372-[(3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trien-1-yl]-8-hydroxy-5,7-dimethoxy-3-methyl-4H-chromen-4-one
データベース識別子
- CAS
91682-96-1、94234-27-2- PubChem CID
- 447884
- ChEMBL
CHEMBL486556- ChEBI
CHEBI:32155- EC Number
- 620-944-2
- Nikkaji
- J1.101.529H
物性
構造計算による物性
- XLogP
- 6.3
- 極性表面積
- 83.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 13
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 858
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
危険有害性情報
Hazard Classes and Categories
Acute Tox. 2 (100%)
Acute Tox. 2 (100%)
化学と産業
薬理情報
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
関連反応
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