NP-MRD: Showing NP-Card for Axillarin (NP0045931)

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Record Information

Version

2.0

Created at

2022-03-17 19:45:35 UTC

Updated at

2022-03-17 19:45:35 UTC

NP-MRD ID

NP0045931

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Axillarin

Description

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-chromen-4-one, also known as quercetagetin 3,6-dimethyl ether or 3',4',5,7-tetrahydroxy-3,6-dimethoxyflavone, belongs to the class of organic compounds known as 6-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-chromen-4-one is considered to be a flavonoid lipid molecule. A dimethoxyflavone that is the 3,6-dimethyl ether derivative of quercetagetin. 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-chromen-4-one is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-chromen-4-one has been detected, but not quantified in, german camomiles. Axillarin is found in Abronia latifolia, Acanthospermum australe, Achillea grandifolia, Achillea millefolium, Achillea spp., Agnorhiza bolanderi, Agnorhiza invenusta, Ajania fruticulosa , Ambrosia chamissonis, Artemisia annua , Artemisia australis, Artemisia copa, Artemisia diffusa, Artemisia incanescens, Artemisia lindleyana, Artemisia ludoviciana, Artemisia tridentata, Asteriscus sericeus, Baccharis neaei, Bahia pringlei, Balsamorhiza careyana, Balsamorhiza deltoidea, Calycadenia spp., Centaurea bracteata Scop., Centaurea jacea, Cheirolophus intybaceus, Cistus albanicus, Cleome amblyocarpa, Cleome amplyocarpa, Dictamnus albus , Didierea spp., Eriophyllum confertiflorum, Eriophyllum staechadifolium, Flourensia hirsuta, Gonospermum elegans, Tanacetum ferulaceum, Gonospermum gomerae, Gymnosperma glutinosum , Helichrysum spp., Holocarpha heermannii, Inula germanica , Iva axillaris, Iva hayesiana, Madia sativa , Madia spp., Matricaria chamomilla , Neurolaena lobata, Oncosiphon grandiflorum, Origanum akhadarense, Origanum boissieri, Origanum hypercifolium, Origanum majorana , Origanum micranthum, Origanum vulgare , Ozothamnus lycopodioides, Inula britannica , Pericome caudata, Pluchea chingoyo, Stizolophus coronopifolius, Tanacetum balsamita , Tanacetum densum, Tanacetum parthenium , Tanacetum vulgare , Wyethia helenioides and Xanthium pensylvanicum. Axillarin was first documented in 2014 (PMID: 24689280). This could make 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-chromen-4-one a potential biomarker for the consumption of these foods (PMID: 25541045) (PMID: 25924515).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309171701212D          

 25 27  0  0  0  0            999 V2000
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  7  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  1  0  0  0  0
 16 10  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  2  0  0  0  0
 23  1  1  0  0  0  0
 23 16  1  0  0  0  0
 24  2  1  0  0  0  0
 24 17  1  0  0  0  0
 25 11  1  0  0  0  0
 25 15  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0045931

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C2=C(OC(=C(OC)C2=O)C2=CC(O)=C(O)C=C2)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C17H14O8/c1-23-16-10(20)6-11-12(13(16)21)14(22)17(24-2)15(25-11)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3

> <INCHI_KEY>
KIGVXRGRNLQNNI-UHFFFAOYSA-N

> <FORMULA>
C17H14O8

> <MOLECULAR_WEIGHT>
346.2883

> <EXACT_MASS>
346.068867424

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
33.538775453015305

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-chromen-4-one

> <ALOGPS_LOGP>
2.66

> <JCHEM_LOGP>
2.1114555876666667

> <ALOGPS_LOGS>
-3.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.22882661543965

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.901910572086535

> <JCHEM_PKA_STRONGEST_BASIC>
-4.609271269492251

> <JCHEM_POLAR_SURFACE_AREA>
125.68000000000002

> <JCHEM_REFRACTIVITY>
88.07660000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.11e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
axillarin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-SEP-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-SEP-17         0                                  
HETATM    1  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -2.667  -0.000   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       2.667  -0.000   0.000  0.00  0.00           O+0
CONECT    1   23                                                            
CONECT    2   24                                                            
CONECT    3    4    7                                                       
CONECT    4    3    8                                                       
CONECT    5    7    9                                                       
CONECT    6   10   11                                                       
CONECT    7    3    5   15                                                  
CONECT    8    4    9   18                                                  
CONECT    9    5    8   19                                                  
CONECT   10    6   16   20                                                  
CONECT   11    6   12   25                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12   16   21                                                  
CONECT   14   12   17   22                                                  
CONECT   15    7   17   25                                                  
CONECT   16   10   13   23                                                  
CONECT   17   14   15   24                                                  
CONECT   18    8                                                            
CONECT   19    9                                                            
CONECT   20   10                                                            
CONECT   21   13                                                            
CONECT   22   14                                                            
CONECT   23    1   16                                                       
CONECT   24    2   17                                                       
CONECT   25   11   15                                                       
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END

View in JSmol

Synonyms

Value	Source
3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavone	ChEBI
3,6-Dimethoxyquercetagetin	ChEBI
Quercetagetin 3,6-dimethyl ether	ChEBI
DMQT	MeSH

Chemical Formula

C₁₇H₁₄O₈

Average Mass

346.2883 Da

Monoisotopic Mass

346.06887 Da

IUPAC Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-chromen-4-one

Traditional Name

axillarin

CAS Registry Number

5188-73-8

SMILES

COC1=C(O)C2=C(OC(=C(OC)C2=O)C2=CC(O)=C(O)C=C2)C=C1O

InChI Identifier

InChI=1S/C17H14O8/c1-23-16-10(20)6-11-12(13(16)21)14(22)17(24-2)15(25-11)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3

InChI Key

KIGVXRGRNLQNNI-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Abronia latifolia	LOTUS Database	35616633
Acanthospermum australe	LOTUS Database	35616633
Achillea grandifolia	LOTUS Database	35616633
Achillea millefolium	LOTUS Database	35616633
Achillea spp.	Plant	KNApSAcK
Agnorhiza bolanderi	LOTUS Database	35616633
Agnorhiza invenusta	LOTUS Database	35616633
Ajania fruticulosa	Plant	KNApSAcK
Ambrosia chamissonis	Plant	KNApSAcK
Artemisia annua	Plant	KNApSAcK
Artemisia australis	Plant	KNApSAcK
Artemisia copa	LOTUS Database	35616633
Artemisia diffusa	LOTUS Database	35616633
Artemisia incanescens	LOTUS Database	35616633
Artemisia lindleyana	LOTUS Database	35616633
Artemisia ludoviciana	LOTUS Database	35616633
Artemisia tridentata	LOTUS Database	35616633
Asteriscus sericeus	Plant	KNApSAcK
Baccharis neaei	LOTUS Database	35616633
Bahia pringlei	Plant	KNApSAcK
Balsamorhiza careyana	LOTUS Database	35616633
Balsamorhiza deltoidea	LOTUS Database	35616633
Calycadenia spp.	Plant	KNApSAcK
Centaurea bracteata Scop.	Plant	KNApSAcK
Centaurea jacea	LOTUS Database	35616633
Cheirolophus intybaceus	LOTUS Database	35616633
Cistus albanicus	Plant	KNApSAcK
Cleome amblyocarpa	LOTUS Database	35616633
Cleome amplyocarpa	Plant	KNApSAcK
Dictamnus albus	Plant	KNApSAcK
Didierea spp.	Plant	KNApSAcK
Eriophyllum confertiflorum	Plant	KNApSAcK
Eriophyllum staechadifolium	Plant	KNApSAcK
Flourensia hirsuta	Plant	KNApSAcK
Gonospermum elegans	Plant	KNApSAcK
Gonospermum ferulaceum	LOTUS Database	35616633
Gonospermum gomerae	Plant	KNApSAcK
Gymnosperma glutinosum	Plant	KNApSAcK
Helichrysum spp.	Plant	KNApSAcK
Holocarpha heermannii	Plant	KNApSAcK
Inula germanica	Plant	KNApSAcK
Iva axillaris	Plant	KNApSAcK
Iva hayesiana	Plant	KNApSAcK
Madia sativa	Plant	KNApSAcK
Madia spp.	Plant	KNApSAcK
Matricaria chamomilla	Plant	KNApSAcK
Matricaria recutita	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Neurolaena lobata	LOTUS Database	35616633
Oncosiphon grandiflorum	Plant	KNApSAcK
Origanum akhadarense	Plant	KNApSAcK
Origanum boissieri	Plant	KNApSAcK
Origanum hypercifolium	Plant	KNApSAcK
Origanum majorana	Plant	KNApSAcK
Origanum micranthum	Plant	KNApSAcK
Origanum vulgare	Plant	KNApSAcK
Ozothamnus lycopodioides	Plant	KNApSAcK
Pentanema britannicum	Plant	KNApSAcK
Pericome caudata	LOTUS Database	35616633
Pluchea chingoyo	LOTUS Database	35616633
Stizolophus coronopifolius	LOTUS Database	35616633
Tanacetum balsamita	Plant	KNApSAcK
Tanacetum densum	LOTUS Database	35616633
Tanacetum parthenium	Plant	KNApSAcK
Tanacetum vulgare	Plant	KNApSAcK
Wyethia helenioides	LOTUS Database	35616633
Xanthium strumarium	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 6-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

O-methylated flavonoids

Direct Parent

6-O-methylated flavonoids

Alternative Parents

Substituents

3-methoxyflavonoid-skeleton
6-methoxyflavonoid-skeleton
7-hydroxyflavonoid
3'-hydroxyflavonoid
4'-hydroxyflavonoid
Flavone
Hydroxyflavonoid
5-hydroxyflavonoid
3-methoxychromone
Chromone
Benzopyran
1-benzopyran
Anisole
Catechol
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Phenol
Benzenoid
Pyran
Monocyclic benzene moiety
Vinylogous acid
Heteroaromatic compound
Organoheterocyclic compound
Oxacycle
Ether
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

tetrahydroxyflavone (CHEBI:2941 )
dimethoxyflavone (CHEBI:2941 )
flavonols (C10021 )
Flavones and Flavonols (C10021 )
Flavones and Flavonols (LMPK12112990 )

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

Property	Value	Source
logP	2.66	ALOGPS
logP	2.11	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	6.9	ChemAxon
pKa (Strongest Basic)	-4.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	125.68 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	88.08 m³·mol⁻¹	ChemAxon
Polarizability	33.54 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0130270

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Axillarin

METLIN ID

Not Available

PubChem Compound

5281603

PDB ID

Not Available

ChEBI ID

2941

Good Scents ID

Not Available

References

General References

Uehara A, Kitajima J, Kokubugata G, Iwashina T: Further characterization of foliar flavonoids in Crossostephium chinense and their geographic variation. Nat Prod Commun. 2014 Feb;9(2):163-4. [PubMed:24689280 ]
Todorova M, Trendafilova A, Danova K, Simmons L, Wolfram E, Meier B, Riedl R, Evstatieva L: Highly oxygenated sesquiterpenes in Artemisia alba Turra. Phytochemistry. 2015 Feb;110:140-9. doi: 10.1016/j.phytochem.2014.12.008. Epub 2014 Dec 23. [PubMed:25541045 ]
Uehara A, Akiyama S, Iwashina T: Foliar flavonoids from Tanacetum vulgare var. boreale and their geographical variation. Nat Prod Commun. 2015 Mar;10(3):403-5. [PubMed:25924515 ]

Showing NP-Card for Axillarin (NP0045931)

MOL for NP0045931 (Axillarin)

3D MOL for NP0045931 (Axillarin)

3D SDF for NP0045931 (Axillarin)

3D-SDF for NP0045931 (Axillarin)

PDB for NP0045931 (Axillarin)

3D PDB for NP0045931 (Axillarin)

SMILES for NP0045931 (Axillarin)

INCHI for NP0045931 (Axillarin)

Structure for NP0045931 (Axillarin)

3D Structure for NP0045931 (Axillarin)