Erythrinin A
PubChem CID
10381321
Structure
Molecular Formula
Synonyms
- Erythrinin A
- 63807-86-3
- 7-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
- DTXSID901146462
- LMPK12050034
Molecular Weight
320.3 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2006-10-25
- Modify:2025-01-04
Description
Erythrinin A has been reported in Millettia dura, Erythrina mildbraedii, and Cullen corylifolium with data available.
Chemical Structure Depiction
7-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C20H16O4/c1-20(2)8-7-13-9-15-18(10-17(13)24-20)23-11-16(19(15)22)12-3-5-14(21)6-4-12/h3-11,21H,1-2H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
GGGQCONNJCHXIR-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1(C=CC2=CC3=C(C=C2O1)OC=C(C3=O)C4=CC=C(C=C4)O)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C20H16O4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Erythrinin A
- 63807-86-3
- 7-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
- DTXSID901146462
- LMPK12050034
- FS-7598
- XE161740
- 7-(4-Hydroxyphenyl)-2,2-dimethyl-2H,6H-pyrano[3,2-g]chromen-6-one
- 2H,6H-Benzo[1,2-b:5,4-ba(2)]dipyran-6-one, 7-(4-hydroxyphenyl)-2,2-dimethyl-
- 7-(4-Hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
320.3 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
3.7
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
320.10485899 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
320.10485899 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
55.8Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
24
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
568
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
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 2021.10.14)
Polyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
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.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/2H,6H-Benzo[1,2-b:5,4-b′]dipyran-6-one, 7-(4-hydroxyphenyl)-2,2-dimethyl-https://commonchemistry.cas.org/detail?cas_rn=63807-86-3
- EPA DSSTox2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7-(4-hydroxyphenyl)-2,2-dimethyl-https://comptox.epa.gov/dashboard/DTXSID901146462CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- KNApSAcK Species-Metabolite Database
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Erythrinin Ahttps://www.wikidata.org/wiki/Q105008036LOTUS Treehttps://lotus.naturalproducts.net/
- LIPID MAPSLipid Classificationhttps://www.lipidmaps.org/
- Metabolomics Workbench
- Wikidataerythrinin Ahttps://www.wikidata.org/wiki/Q105008036
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS