Corynechromone B
PubChem CID
101911794
Structure
Molecular Formula
Synonyms
- Corynechromone B
- ethyl 2-[(2S)-7-hydroxy-2-[(2S)-2-hydroxypropyl]-4-oxo-2,3-dihydrochromen-5-yl]acetate
- ethyl 2-((2S)-7-hydroxy-2-((2S)-2-hydroxypropyl)-4-oxo-2,3-dihydrochromen-5-yl)acetate
- Ethyl 2-((2S)-7-hydroxy-2-((2S)-2-hydroxypropyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)acetic acid
- Ethyl 2-[(2S)-7-hydroxy-2-[(2S)-2-hydroxypropyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]acetic acid
Molecular Weight
308.33 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2015-12-18
- Modify:2024-12-07
Description
Corynechromone B is a member of chromones.
Chemical Structure Depiction
ethyl 2-[(2S)-7-hydroxy-2-[(2S)-2-hydroxypropyl]-4-oxo-2,3-dihydrochromen-5-yl]acetate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C16H20O6/c1-3-21-15(20)6-10-5-11(18)7-14-16(10)13(19)8-12(22-14)4-9(2)17/h5,7,9,12,17-18H,3-4,6,8H2,1-2H3/t9-,12-/m0/s1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
JQJYOBPTCQJBLG-CABZTGNLSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCOC(=O)CC1=C2C(=O)C[C@@H](OC2=CC(=C1)O)C[C@H](C)O
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C16H20O6
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- Corynechromone B
- ethyl 2-[(2S)-7-hydroxy-2-[(2S)-2-hydroxypropyl]-4-oxo-2,3-dihydrochromen-5-yl]acetate
- ethyl 2-((2S)-7-hydroxy-2-((2S)-2-hydroxypropyl)-4-oxo-2,3-dihydrochromen-5-yl)acetate
- Ethyl 2-((2S)-7-hydroxy-2-((2S)-2-hydroxypropyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)acetic acid
- Ethyl 2-[(2S)-7-hydroxy-2-[(2S)-2-hydroxypropyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]acetic acid
- CHEMBL3426558
- CHEBI:203665
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
308.33 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
1.3
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
308.12598835 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
308.12598835 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
93.1Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
22
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
409
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChEBICorynechromone Bhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:203665
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics Workbench
- Natural Product Activity and Species Source (NPASS)
- WikidataCorynechromone Bhttps://www.wikidata.org/wiki/Q77379804
- PubChem
- The Natural Products AtlasLICENSEThe Natural Products Atlas is licensed under a Creative Commons Attribution 4.0 International License.https://www.npatlas.org/termsThe Natural Products Atlas Classificationhttps://www.npatlas.org/
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/LOTUS Treehttps://lotus.naturalproducts.net/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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