NP-MRD: Showing NP-Card for Acetylvalerenolic acid (NP0064334)

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Record Information

Version

2.0

Created at

2022-04-28 08:35:20 UTC

Updated at

2022-04-28 08:35:20 UTC

NP-MRD ID

NP0064334

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Acetylvalerenolic acid

Description

Acetoxyvalerenic Acid, also known as acetoxyvalerenate, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Acetylvalerenolic acid is found in Valeriana officinalis . Acetylvalerenolic acid was first documented in 2005 (PMID: 16041642). Based on a literature review a small amount of articles have been published on Acetoxyvalerenic Acid (PMID: 29121679) (PMID: 20878691) (PMID: 18704879) (PMID: 18095218).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
    5.6345   -0.6691   -0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2614   -0.2375   -0.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9947   -0.0531   -2.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2989   -0.0425    0.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0351    0.3577   -0.2564 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7237    1.7342    0.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.7591   -0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4616    3.0354   -0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2236    0.5364   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6074    0.0331   -0.3582 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6882    0.8688    0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5905    0.5345    0.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6085   -0.7695    1.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6470    1.5170    1.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5166    1.1982    2.1888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6824    2.7688    0.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6980   -1.4405   -0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4057   -1.9040   -1.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6842   -1.7663   -0.0307 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9022   -2.5407   -0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860   -0.3738    0.3465 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9309   -0.0885    0.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6898   -1.7693   -0.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3604   -0.4340   -1.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8521    0.5020   -1.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2855    2.5352   -0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8401    1.6232    1.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9562    2.9284   -1.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1149    3.3741    0.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2849    3.8519   -0.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7086    0.1864   -1.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8151    1.9152   -0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7634   -0.9595    2.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8956   -1.6291    0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4901   -0.7489    2.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0215    2.9739   -0.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069   -1.9595    0.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5726   -1.7840   -0.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5221   -2.9670   -1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411   -1.2601   -1.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2715   -2.3058    0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2049   -2.2038   -1.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7001   -3.6315   -0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7528   -2.4362    0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9895   -0.2592    1.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 16  1  0
 14 15  2  0
 10  9  1  0
  9  7  2  0
  7  8  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  2  0
  5 21  1  0
 21 19  1  0
 21  9  1  0
 20 42  1  0
 20 43  1  0
 20 44  1  0
 19 41  1  1
 18 39  1  0
 18 40  1  0
 17 37  1  0
 17 38  1  0
 10 31  1  6
 11 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
 16 36  1  0
  8 28  1  0
  8 29  1  0
  8 30  1  0
  6 26  1  0
  6 27  1  0
  5 25  1  6
  1 22  1  0
  1 23  1  0
  1 24  1  0
 21 45  1  1
M  END


  Mrv1652304282210352D          

 21 22  0  0  1  0            999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781   -0.8853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4752    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    4.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    4.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    4.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    3.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  6 13  1  0  0  0  0
  5 14  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 16 20  1  0  0  0  0
  3 21  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0064334

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)C[C@@H](OC(C)=O)[C@H]12

> <INCHI_IDENTIFIER>
InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14-,16+/m1/s1

> <INCHI_KEY>
VBBXZFLAYWAXSK-HYJCDKNOSA-N

> <FORMULA>
C17H24O4

> <MOLECULAR_WEIGHT>
292.375

> <EXACT_MASS>
292.167459253

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
31.783450370039123

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-3-[(1R,4S,7R,7aR)-1-(acetyloxy)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid

> <ALOGPS_LOGP>
3.27

> <JCHEM_LOGP>
2.728743085333333

> <ALOGPS_LOGS>
-3.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.55086149293264

> <JCHEM_PKA_STRONGEST_BASIC>
-7.004607469535601

> <JCHEM_POLAR_SURFACE_AREA>
63.60000000000001

> <JCHEM_REFRACTIVITY>
80.79299999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.35e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-3-[(1R,4S,7R,7aR)-1-(acetyloxy)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.924   1.303   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.126   4.089   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.126   1.597   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.650   0.132   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.143  -0.188   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.333  -1.652   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.887   0.957   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.650   5.553   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.924   5.923   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.258   6.693   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.258   8.233   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.924   9.003   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       7.591   9.003   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       7.591   5.923   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.924  -0.237   0.000  0.00  0.00           C+0
CONECT    1    2   14                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   21                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6   14                                                  
CONECT    6    5    7   13                                                  
CONECT    7    6    8                                                       
CONECT    8    7    4    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    6                                                            
CONECT   14    5    1   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   20                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   16                                                            
CONECT   21    3                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Value	Source
Acetoxyvalerenate	Generator
Acetylvalerenolic acid	MeSH

Chemical Formula

C₁₇H₂₄O₄

Average Mass

292.3750 Da

Monoisotopic Mass

292.16746 Da

IUPAC Name

(2E)-3-[(1R,4S,7R,7aR)-1-(acetyloxy)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid

Traditional Name

(2E)-3-[(1R,4S,7R,7aR)-1-(acetyloxy)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid

CAS Registry Number

Not Available

SMILES

C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)C[C@@H](OC(C)=O)[C@H]12

InChI Identifier

InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14-,16+/m1/s1

InChI Key

VBBXZFLAYWAXSK-HYJCDKNOSA-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
Valeriana officinalis	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Dicarboxylic acid or derivatives
Carboxylic acid ester
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic 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

Property	Value	Source
logP	3.27	ALOGPS
logP	2.73	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	4.55	ChemAxon
pKa (Strongest Basic)	-7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	63.6 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	80.79 m³·mol⁻¹	ChemAxon
Polarizability	31.78 Å³	ChemAxon
Number of Rings	2	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

5020629

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

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METLIN ID

Not Available

PubChem Compound

6537490

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Nikzad-Langerodi R, Arth K, Klatte-Asselmeyer V, Bressler S, Saukel J, Reznicek G, Dobes C: Quality Control of Valerianae Radix by Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) Spectroscopy. Planta Med. 2018 Apr;84(6-07):442-448. doi: 10.1055/s-0043-122239. Epub 2017 Nov 9. [PubMed:29121679 ]
Anderson GD, Elmer GW, Taibi DM, Vitiello MV, Kantor E, Kalhorn TF, Howald WN, Barsness S, Landis CA: Pharmacokinetics of valerenic acid after single and multiple doses of valerian in older women. Phytother Res. 2010 Oct;24(10):1442-6. doi: 10.1002/ptr.3151. [PubMed:20878691 ]
Neuhaus W, Trauner G, Gruber D, Oelzant S, Klepal W, Kopp B, Noe CR: Transport of a GABAA receptor modulator and its derivatives from Valeriana officinalis L. s. l. across an in vitro cell culture model of the blood-brain barrier. Planta Med. 2008 Sep;74(11):1338-44. doi: 10.1055/s-2008-1081343. Epub 2008 Aug 14. [PubMed:18704879 ]
Trauner G, Khom S, Baburin I, Benedek B, Hering S, Kopp B: Modulation of GABAA receptors by valerian extracts is related to the content of valerenic acid. Planta Med. 2008 Jan;74(1):19-24. doi: 10.1055/s-2007-993761. Epub 2007 Dec 19. [PubMed:18095218 ]
Simmen U, Saladin C, Kaufmann P, Poddar M, Wallimann C, Schaffner W: Preserved pharmacological activity of hepatocytes-treated extracts of valerian and St. John's wort. Planta Med. 2005 Jul;71(7):592-8. doi: 10.1055/s-2005-871262. [PubMed:16041642 ]

Showing NP-Card for Acetylvalerenolic acid (NP0064334)

MOL for NP0064334 (Acetylvalerenolic acid)

3D MOL for NP0064334 (Acetylvalerenolic acid)

3D SDF for NP0064334 (Acetylvalerenolic acid)

3D-SDF for NP0064334 (Acetylvalerenolic acid)

PDB for NP0064334 (Acetylvalerenolic acid)

3D PDB for NP0064334 (Acetylvalerenolic acid)

SMILES for NP0064334 (Acetylvalerenolic acid)

INCHI for NP0064334 (Acetylvalerenolic acid)

Structure for NP0064334 (Acetylvalerenolic acid)

3D Structure for NP0064334 (Acetylvalerenolic acid)