NP-MRD: Showing NP-Card for abscisic acid, (NP0237987)

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Record Information

Version

2.0

Created at

2022-09-06 21:17:35 UTC

Updated at

2022-09-06 21:17:35 UTC

NP-MRD ID

NP0237987

Secondary Accession Numbers

None

Natural Product Identification

Common Name

abscisic acid,

Description

Abscisic acid, also known as 2-trans-aba or abscisate, belongs to the class of organic compounds known as abscisic acids and derivatives. These are terpene compounds containing the abscisic acid moiety, which is characterized by a 3-methylpenta-2,4-dienoic acid attached to the C1 carbon of a 4-oxocyclohex-2-ene moiety. Abscisic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Abscisic acid is found, on average, in the highest concentration within anises. Abscisic acid has also been detected, but not quantified in, several different foods, such as apples, corns, sweet oranges, american cranberries, and carobs. This could make abscisic acid a potential biomarker for the consumption of these foods. abscisic acid, is found in Agrocybe praecox, Alnus glutinosa, Alternaria brassicae, Artemisia capillaris, Ascophyllum nodosum, Botrytis cinerea, Rosisphaerella rosicola, Cibotium glaucum, Citrus aurantium, Dioscorea japonica, Dodonaea viscosa, Eudendrium racemosum, Ginkgo biloba, Glycine max, Gossypium hirsutum, Helianthus annuus, Hordeum vulgare, Ipomoea batatas, Ipomoea nil, Macaranga triloba, Marchantia polymorpha, Persea americana, Phaseolus vulgaris, Pinus densiflora, Quercus robur, Rosa taiwanensis, Saccharum officinarum, Salix pentandra, Salix viminalis, Scolochloa festucacea, Solanum peruvianum, Sorbus aucuparia, Thanatephorus cucumeris, Vicia faba, Xanthium strumarium and Zea mays. abscisic acid, was first documented in 2000 (PMID: 10707075). An abscisic acid in which the two acyclic double bonds both have trans-geometry.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 39  0  0  0  0  0  0  0  0999 V2000
   -0.8083    2.0953   -1.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6821    1.0876   -0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9952    1.1566   -0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8838    0.1740   -0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0835    0.1133   -0.3899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2354   -0.7090    0.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8984   -1.1619    0.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1729   -1.7354   -0.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3976   -2.2008    1.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0412    0.0602    0.3423 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9636    0.5575    1.6499 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3329   -0.1444   -0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927    0.4513    0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7455    0.2413   -0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1136   -0.6882   -1.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7762    0.9126    0.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1534    0.7656   -0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5469    0.0074   -0.9485 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1131    1.5222    0.6139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4046    2.8149   -1.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0913    1.5571   -1.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2155    2.6635   -0.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3643    1.9374   -1.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375   -1.5968    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0393   -0.0679    1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5659   -2.6466   -1.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387   -0.9596   -1.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2389   -2.0722   -1.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1446   -3.0171    1.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3748   -1.7140    2.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4394   -2.6342    1.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9060    1.5395    1.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4142   -0.8612   -0.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2351    1.1540    1.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.5006   -0.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5622   -0.0881   -2.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1855   -1.0996   -1.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    1.5995    1.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664    2.4870    0.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
 15 14  1  0
 14 13  1  0
 13 12  2  0
 12 10  1  0
 10 11  1  1
 10  2  1  0
  2  1  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
 14 16  2  0
 16 17  1  0
 17 19  1  0
 17 18  2  0
  7 10  1  0
 15 35  1  0
 15 36  1  0
 15 37  1  0
 13 34  1  0
 12 33  1  0
 11 32  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  3 23  1  0
  6 24  1  0
  6 25  1  0
  8 26  1  0
  8 27  1  0
  8 28  1  0
  9 29  1  0
  9 30  1  0
  9 31  1  0
 16 38  1  0
 19 39  1  0
M  END


  Mrv0541 02241219112D          

 19 19  0  0  0  0            999 V2000
   -2.5003    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5003   -0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855   -1.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721   -0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1986    1.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3723    1.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2164   -1.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561   -1.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0721    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7869    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5017    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2164    0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0721    1.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5017    1.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0237987

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(\C=C\C1(O)C(C)=CC(=O)CC1(C)C)=C/C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+

> <INCHI_KEY>
JLIDBLDQVAYHNE-WEYXYWBQSA-N

> <FORMULA>
C15H20O4

> <MOLECULAR_WEIGHT>
264.3169

> <EXACT_MASS>
264.136159128

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
28.332107901572066

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid

> <ALOGPS_LOGP>
1.88

> <JCHEM_LOGP>
2.0932754933333335

> <ALOGPS_LOGS>
-3.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.403514092027617

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.738149522274699

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4976545251493247

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
74.9764

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.79e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
abscisic acid, (+)-

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -4.667   0.001   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.667  -1.541   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.333  -2.312   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.001  -1.541   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.001   0.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.333   0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.104   2.107   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.562   2.107   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -6.004  -2.312   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -0.665  -2.312   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.667   0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.667   0.001   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.001   0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.336   0.001   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.670   0.770   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       6.004   0.001   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -0.665  -0.770   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.001   2.312   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.670   2.312   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3    9                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6   11   17                                             
CONECT    6    1    5    7    8                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    2                                                            
CONECT   10    4                                                            
CONECT   11    5   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   19                                                  
CONECT   16   15                                                            
CONECT   17    5                                                            
CONECT   18   13                                                            
CONECT   19   15                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

View in JSmol

Synonyms

Value	Source
2-trans-ABA	ChEBI
Abscisate	Generator
5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid, 9ci	HMDB
Abscisin II	HMDB
Dormin	HMDB
2-trans-Abscisate	Generator
Abscisic acid	MeSH
Abscissins	MeSH
Abscisic acid monoammonium salt, (R)-isomer	MeSH
Abscisic acid, (e,Z)-(+,-)-isomer	MeSH
Abscisic acid, (R)-isomer	MeSH
Abscisic acid, (Z,e)-isomer	MeSH
Abscisic acid, (+,-)-isomer	MeSH
Abscisic acid, (e,e)-(+-)-isomer	MeSH
Abscissic acid	MeSH

Chemical Formula

C₁₅H₂₀O₄

Average Mass

264.3169 Da

Monoisotopic Mass

264.13616 Da

IUPAC Name

(2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid

Traditional Name

abscisic acid, (+)-

CAS Registry Number

Not Available

SMILES

C\C(\C=C\C1(O)C(C)=CC(=O)CC1(C)C)=C/C(O)=O

InChI Identifier

InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+

InChI Key

JLIDBLDQVAYHNE-WEYXYWBQSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Agrocybe praecox	LOTUS Database	35616633
Alnus glutinosa	LOTUS Database	35616633
Alternaria brassicae	LOTUS Database	35616633
Artemisia capillaris	LOTUS Database	35616633
Ascophyllum nodosum	LOTUS Database	35616633
Botrytis cinerea	LOTUS Database	35616633
Cercospora rosicola	LOTUS Database	35616633
Cibotium glaucum	LOTUS Database	35616633
Citrus aurantium	LOTUS Database	35616633
Dioscorea japonica	LOTUS Database	35616633
Dodonaea viscosa	LOTUS Database	35616633
Eudendrium racemosum	LOTUS Database	35616633
Ginkgo biloba	LOTUS Database	35616633
Glycine max	LOTUS Database	35616633
Gossypium hirsutum	LOTUS Database	35616633
Helianthus annuus	LOTUS Database	35616633
Hordeum vulgare	LOTUS Database	35616633
Ipomoea batatas	LOTUS Database	35616633
Ipomoea nil	LOTUS Database	35616633
Macaranga triloba	LOTUS Database	35616633
Marchantia polymorpha	LOTUS Database	35616633
Persea americana	LOTUS Database	35616633
Phaseolus vulgaris	LOTUS Database	35616633
Pinus densiflora	LOTUS Database	35616633
Quercus robur	LOTUS Database	35616633
Rosa taiwanensis	LOTUS Database	35616633
Saccharum officinarum	LOTUS Database	35616633
Salix pentandra	LOTUS Database	35616633
Salix viminalis	LOTUS Database	35616633
Scolochloa festucacea	LOTUS Database	35616633
Solanum peruvianum	LOTUS Database	35616633
Sorbus aucuparia	LOTUS Database	35616633
Thanatephorus cucumeris	LOTUS Database	35616633
Vicia faba	LOTUS Database	35616633
Xanthium strumarium	LOTUS Database	35616633
Zea mays	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as abscisic acids and derivatives. These are terpene compounds containing the abscisic acid moiety, which is characterized by a 3-methylpenta-2,4-dienoic acid attached to the C1 carbon of a 4-oxocyclohex-2-ene moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Abscisic acids and derivatives

Alternative Parents

Substituents

Abscisic acid
Medium-chain fatty acid
Branched fatty acid
Cyclohexenone
Hydroxy fatty acid
Methyl-branched fatty acid
Fatty acyl
Fatty acid
Unsaturated fatty acid
Tertiary alcohol
Ketone
Cyclic ketone
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Alcohol
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

abscisic acids (CHEBI:62426 )

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	1.88	ALOGPS
logP	2.09	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	4.74	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	74.6 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	74.98 m³·mol⁻¹	ChemAxon
Polarizability	28.33 Å³	ChemAxon
Number of Rings	1	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

HMDB0036093

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB014933

KNApSAcK ID

Not Available

Chemspider ID

4524740

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Abscisic acid

METLIN ID

Not Available

PubChem Compound

5375200

PDB ID

Not Available

ChEBI ID

62426

Good Scents ID

Not Available

References

General References

Lovegrove A, Hooley R: Gibberellin and abscisic acid signalling in aleurone. Trends Plant Sci. 2000 Mar;5(3):102-10. doi: 10.1016/s1360-1385(00)01571-5. [PubMed:10707075 ]
LOTUS database [Link]

Showing NP-Card for abscisic acid, (NP0237987)

MOL for NP0237987 (abscisic acid, )

3D MOL for NP0237987 (abscisic acid, )

3D SDF for NP0237987 (abscisic acid, )

3D-SDF for NP0237987 (abscisic acid, )

PDB for NP0237987 (abscisic acid, )

3D PDB for NP0237987 (abscisic acid, )

SMILES for NP0237987 (abscisic acid, )

INCHI for NP0237987 (abscisic acid, )

Structure for NP0237987 (abscisic acid, )

3D Structure for NP0237987 (abscisic acid, )