Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-05 20:03:07 UTC |
---|
Updated at | 2022-09-05 20:03:07 UTC |
---|
NP-MRD ID | NP0219145 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | methyl 2-ethyl-4,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydrotetracene-1-carboxylate |
---|
Description | Methyl 2-ethyl-4,5,7,10-tetrahydroxy-6,11-dioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4. methyl 2-ethyl-4,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydrotetracene-1-carboxylate is found in Streptomyces galilaeus. Methyl 2-ethyl-4,5,7,10-tetrahydroxy-6,11-dioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate is an extremely weak basic (essentially neutral) compound (based on its pKa). |
---|
Structure | CCC1=C(C(=O)OC)C2=CC3=C(C(O)=C2C(O)C1)C(=O)C1=C(O)C=CC(O)=C1C3=O InChI=1S/C22H18O8/c1-3-8-6-13(25)15-9(14(8)22(29)30-2)7-10-16(20(15)27)21(28)18-12(24)5-4-11(23)17(18)19(10)26/h4-5,7,13,23-25,27H,3,6H2,1-2H3 |
---|
Synonyms | Value | Source |
---|
Methyl 2-ethyl-4,5,7,10-tetrahydroxy-6,11-dioxo-3,4,6,11-tetrahydrotetracene-1-carboxylic acid | Generator |
|
---|
Chemical Formula | C22H18O8 |
---|
Average Mass | 410.3780 Da |
---|
Monoisotopic Mass | 410.10017 Da |
---|
IUPAC Name | methyl 2-ethyl-4,5,7,10-tetrahydroxy-6,11-dioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate |
---|
Traditional Name | methyl 2-ethyl-4,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydrotetracene-1-carboxylate |
---|
CAS Registry Number | Not Available |
---|
SMILES | CCC1=C(C(=O)OC)C2=CC3=C(C(O)=C2C(O)C1)C(=O)C1=C(O)C=CC(O)=C1C3=O |
---|
InChI Identifier | InChI=1S/C22H18O8/c1-3-8-6-13(25)15-9(14(8)22(29)30-2)7-10-16(20(15)27)21(28)18-12(24)5-4-11(23)17(18)19(10)26/h4-5,7,13,23-25,27H,3,6H2,1-2H3 |
---|
InChI Key | YTMGBGDYUQYCOW-UHFFFAOYSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4. |
---|
Kingdom | Organic compounds |
---|
Super Class | Benzenoids |
---|
Class | Naphthacenes |
---|
Sub Class | Tetracenequinones |
---|
Direct Parent | Tetracenequinones |
---|
Alternative Parents | |
---|
Substituents | - Tetracenequinone
- Anthracene carboxylic acid
- Anthracene carboxylic acid or derivatives
- 1,4-anthraquinone
- 9,10-anthraquinone
- Anthracene
- 1-naphthalenecarboxylic acid or derivatives
- Aryl ketone
- 1-hydroxy-2-unsubstituted benzenoid
- 1-hydroxy-4-unsubstituted benzenoid
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Methyl ester
- Vinylogous acid
- Secondary alcohol
- Ketone
- Carboxylic acid ester
- Polyol
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Alcohol
- Carbonyl group
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Aromatic homopolycyclic compound
|
---|
Molecular Framework | Aromatic homopolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|