Basic information
- CAS
11051-88-0- Standard SMILES
CC(C)=CCc1ccc2[nH]cc(C3=C(O)C(=O)C(c4c[nH]c5ccc(CC=C(C)C)cc45)=C(O)C3=O)c2c1- InChIKey
ZXRULNXZJSCTQQ-UHFFFAOYSA-N- Molecular formula
- C32H30N2O4
- Average molar mass
- 506.6 g/mol
- Monoisotopic mass
- 506.22055744
Overview
Cochliodinol has been reported in Amesia nigricolor and Chaetomium globosum with data available.
Names & identifiers
- Preferred name
- Cochliodinol
- IUPAC
- 2,5-dihydroxy-3,6-bis[5-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
- English name
- Cochliodinol,fromChaetomiumglobosum.
- Molecular formula
- C32H30N2O4
- Molecular weight
- 506.59
Names & synonyms
Cochliodinol11051-88-02,5-dihydroxy-3,6-bis[5-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dioneDTXSID201492682,5-Dihydroxy-3,6-bis(5-(3-methyl-2-butenyl)-1H-indol-3-yl)-2,5-cyclohexadiene-1,4-dione2,5-dihydroxy-3,6-bis(5-(3-methylbut-2-enyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dioneRefChem:127343DTXCID5071759Cochliodinol,fromChaetomiumglobosum.Cochliodinol o IsocochliodinolNSC695240BRN 5188623
Show more names
2,5-Dihydroxy-3,6-bis[5-(3-methyl-2-butenyl)-1H-indol-3-yl]-1,4-benzoquinone2,5-Dihydroxy-3,6-bis[5-(3-methyl-2-butenyl)-1H-indol-3-yl]-2,5-cyclohexadiene-1,4-dione2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-bis[5-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]-
3,6-Bis(5-(3-methyl-2-butenyl)indol-3-yl)-2,5-dihydroxy-p-benzoquinone2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-bis(5-(3-methyl-2-butenyl)-1H-indol-3-yl)-5-25-03-00406 (Beilstein Handbook Reference)orb1942071SCHEMBL28047505SCHEMBL30389752p-Benzoquinone, 3,6-bis(5-(3-methyl-2-butenyl)indol-3-yl)-2,5-dihydroxy-BS-1115
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,000
Physicochemical properties
- Melting point
- 214 °C · 214°C
- Boiling point
- 595.2 °C · 595.2°C (rough estimate)
- Density
- 1.1848 · 1.1848 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- form
- White to brown solid.
- pka
- 2.52 · 2.52±0.50(Predicted)
Chemistry & industry
Applications
UsesCochliodinol is an antibiotic metabolite of Chaetomium cochliodes and C. globosum.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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