Aloe-emodin
precursor
Showing entry for Aloe-emodin
Identification
- PhytoHub ID
- PHUB002550
- Name
- Aloe-emodin
- Systematic Name
- Not Available
- Synonyms
- 1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione
- 1,8-Dihydroxy-3-hydroxymethylanthraquinone
- 3-(Hydroxymethyl)chrysazin
- Aloeemodin
- Rhabarberone
- CAS Number
- 481-72-1
- Average Mass
- 270.24
- Monoisotopic Mass
- 270.052823422
- Chemical Formula
- C15H10O5
- IUPAC Name
- Not Available
- InChI Key
- YDQWDHRMZQUTBA-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
- SMILES
OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
- Structure
Structure for Aloe-emodin
Calculated Properties
- Solubility (ALOGPS)
- 3.01e-01 g/l
- LogS (ALOGPS)
- -2.95
- LogP (ALOGPS)
- 2.39
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 10207
- ChEBI
- 2607
- HMDB
- HMDB0030829
Taxonomy as Food Phytochemical
- Family
- Miscellaneous phytochemicals
- Class
- Miscellaneous phytochemicals
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Anthracenes
- Super-class
- Benzenoids
- Sub-class
- Anthraquinones
- Direct Parent Name
- Anthraquinones
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Aromatic alcohols", "Aryl ketones", "Hydrocarbon derivatives", "Organic oxides", "Primary alcohols", "Vinylogous acids"]
- External Descriptor Annotations
- ["Anthracenes and phenanthrenes", "Anthraquinone type", "aromatic primary alcohol", "dihydroxyanthraquinone"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "9,10-anthraquinone", "Alcohol", "Anthraquinone", "Aromatic alcohol", "Aromatic homopolycyclic compound", "Aryl ketone", "Hydrocarbon derivative", "Ketone", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Primary alcohol", "Vinylogous acid"]
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| rhubarb | Vegetables, Other vegetables | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available