![Chemical structure of 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one](/structures/PHY-NP-04615.webp)
Tetraterpenoids
Antheraxanthin A
环氧玉米黄素
PHY-NP-04617 · Natural product research catalog
| Catalog number | PHY-NP-04617 |
|---|---|
| CAS number | 640-03-9 |
| Molecular formula | C40H56O3 |
| Molecular weight | 584.885 g/mol |
| Chemical class | Tetraterpenoids |
| Main reported source | Capsicum annuum |
| Purity / assay | Min. 98% Other purity specifications available on inquiry. |
Chemical structure
Select a pack size
| Pack | Price (USD) | Availability | Lead time |
|---|---|---|---|
| 5 mg | Request quote | To be confirmed | Confirm in quotation |
| 10 mg | Request quote | To be confirmed | Confirm in quotation |
| 20 mg | Request quote | To be confirmed | Confirm in quotation |
| 50 mg | Request quote | To be confirmed | Confirm in quotation |
| 100 mg | Request quote | To be confirmed | Confirm in quotation |
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Product information
Antheraxanthin A is listed in the Tetraterpenoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.
For research use only. Not for human or veterinary use, diagnosis or treatment.
Names & identifiers
| IUPAC name | (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol |
|---|---|
| SMILES | CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C |
| InChIKey | OFNSUWBAQRCHAV-OYQUVCAXSA-N |
| Subclass / scaffold | Carotenoids (C40, β-β) |
| PubChem CID | 5281223 |
Computed properties
| Exact mass (Da) | 584.4229 | Predicted LogP | 9.7586 |
|---|---|---|---|
| Predicted TPSA (Ų) | 52.99 | H-bond donors | 2 |
| H-bond acceptors | 3 | Rotatable bonds | 10 |
Calculated values from the supplied dataset; not measured batch specifications.
View additional properties & classification
| Ring count | 3 |
|---|---|
| Aromatic rings | 0 |
| Fraction Csp³ | 0.5 |
| Synthetic accessibility score | 5.18 |
| QED score | 0.198 |
| Lipinski rule violations | 2 |
| NPClassifier pathway | Terpenoids |
| NPClassifier superclass | Carotenoids (C40) |
| NPClassifier class | Carotenoids (C40, β-β) |
| Parent SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 |
| Parent formula | C40H56O3 |
| Parent molecular weight | 584.885 |
| Specified stereocenters | 4 |
| Unspecified stereocenters | 0 |
Reported natural occurrence
| Main reported source | Capsicum annuum |
|---|---|
| Reported source families | Brassicaceae; Lamiaceae; Solanaceae |
Reported natural occurrence does not establish the manufacturing origin of the supplied material.
View occurrence records & references
| LOTUS / Wikidata species | Capsicum annuum[5]; Arabidopsis thaliana[2]; Brassica oleracea[2]; Diospyros kaki[2]; Ramalina capitata[2]; Raphanus sativus[2]; potato[2]; Acer palmatum[1]; Agastache foeniculum[1]; Agastache rugosa[1]; Asparagus officinalis[1]; Botrylloides violaceus[1]; Brassica juncea[1]; Brassica rapa[1]; Celastrus orbiculatus[1] |
|---|---|
| All reported source families | Brassicaceae[5]; Lamiaceae[4]; Solanaceae[3]; Laminariaceae[3]; Poaceae[2]; Rosaceae[2] |
| Genus / family records | Cladonia[1]; Cucurbita[1] |
| LOTUS species records | 44 |
| LOTUS reference records | 41 |
| COCONUT occurrence records | Acacia adunca; Acer palmatum; Adiantum lunulatum; Aegagrophila linnaei; Alstonia spathulata; Amathia pinnata; Anacystis montana; Ankistrodesmus spp.; Annona cornifolia; Antithamnion plumula; Arabidopsis thaliana; Artemisia assoana; Asterospicularia laurae; Astragalus sempervirens; Basicladia sp.; Bishovia boliviensis; Blastochloris viridis; Bossiella californica; Bossiella orbignyana; Botrylloides violaceus; Brassica juncea; Brassica oleracea; Brassica rapa; Calliarthron tuberculosum; Calostephane divaricata; Capsicum annuum; Capsicum annuum var. lycopersiciforme flavum; Caragana aurantiaca; Carica Papaya; Carica papaya |
| COCONUT organism records | 182 |
| COCONUT identifier | CNP0212903.1 |
Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.
Documents & specifications
| Certificate of analysis (COA) | Batch-specific COA available on request; no PDF published yet |
|---|---|
| Safety data sheet (SDS) | Not yet published |
| Storage / solubility | Product-specific conditions to be confirmed |
| Shipping | Confirmed with the quotation |
Request applicable documentation and handling information before ordering or use.
