UCSF

ZINC04492870

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 19 No

Popular Name: (2Z,4E)-5-((S)-1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid (2Z,4E)-5-((S)-1-Hydroxy-2,6,6-t…

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CAS Numbers: 14375-45-2 , 198486-78-1 , 21293-29-8 , 7773-56-0 , [14375-45-2] , [21293-29-8]

Other Names:

(+)-(S)-ABA(1-); (+)-Abscisate; (+)-S-ABA(1-); (+)-abscisate; (7E,9Z)-(6S)-6-hydroxy-3-oxo-11-apo-epsilon-caroten-11-oate

(+)-(S)-ABA; (+)-Abscisic acid; (+)-S-ABA; (7E,9Z)-(6S)-6-hydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid; (S)-(+)-abscisic acid; 2-cis,4-trans-abscisic acid; ABA; Abscisic acid; abscisin II

(+)-ABA; (+)-S-ABA; (+)-abscisate; 2-cis-ABA; 2-cis-abscisate; 2-cis-abscisic acid; ABA; CPD-693; abscisate; abscisic acid; abscisin II

(+)-abscisate

(+)-Abscisic acid

(+)-Abscisic acid; 21293-29-8; ABA; Abscisate; Abscisic acid; C06082

(+)-ABSCISIC ACID; [21293-29-8]

(+)-cis, trans-Abscisic acid

(+)-cis,trans-Abscisic Acid

(+/-)-2-cis-4-trans-Abscisic acid

(+/-)-2-cis-4-trans-Abscisic acid, 99%

(+/-)-Abscisic Acid [14375-45-2]; (ABA)

(+/-)-cis,trans-Abscisic Acid

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

(±)-Abscisic acid

(±)-Abscisic acid, 98%

(S)-(+)-Abscisic Acid

(S)-(+)-Abscisic acid; (S-(Z,E))-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid; 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (S-(Z,E))-; 2-cis,4-trans-Abscisic acid; ABA; AB

(S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methyl-[2Z,4E]-pentadienoic acid

Abscisicacid

2-cis-abscisate

2-cis-abscisate anion; 2-cis-abscisate(1-); 2-cis-abscisic acid anion; abscisate; abscisate anion; abscisate(1-); abscisic acid anion

ABA

Abscisic acid

abscisic acid (cis,trans; +/-)

Abscisic Acid (Dormin)

Abscisic Acid (Synthetic)

abscisic acids

Abscisicacid

Abscisin II

CHEBI:158341

CHEBI:49196

Dormin

LS-194449

MFCD00066545

MFCD00075619

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.10 5.93 -47.47 1 4 -1 77 263.313 3 ↓
Lo Low (pH 4.5-6) 2.10 3.91 -9.13 2 4 0 75 264.321 3 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 14332_ORYSJ; 14333_ORYSJ; 14335_ORYSJ; 14336_ORYSJ; 2AAA_ARATH; 6PGD1_ORYSJ; 6PGD2_ORYSJ; A494_ARATH; AAE13_ARATH; AAIP_WHEAT; AASS_ARATH; AB11G_ARATH; AB12G_ARATH; AB25B_ARATH; AB32G_ARATH; AB36G_ARATH; AB4B_ARATH; AB4C_ARATH; AB5C_ARATH; ABA1_ASCSU; ABA ChEBI
MP 163 TCI
MP 183 - 186 °C Fluorochem
Melting_Point 185-191? Alfa-Aesar
Melting_Point 185-191° Alfa-Aesar
MP 186 TCI
Mp [°C] 188 - 191 Acros Organics
M.P 189 - 191 C Indofine
Purity >99% Fluorochem
UniProt Database Links ABA2_CAPAN; ABA2_NICPL; ABA2_PRUAR; ABA2_SOLLC; ABAH1_ARATH; ABAH1_ORYSI; ABAH1_ORYSJ; ABAH2_ARATH; ABAH2_ORYSI; ABAH2_ORYSJ; ABAH3_ARATH; ABAH3_ORYSI; ABAH3_ORYSJ; ABAH4_ARATH; ALDO3_ARATH; AOG_PHAAN; ZEP_ARATH; ZEP_ORYSJ ChEBI
UniProt Database Links ABAH1_ARATH; ABAH1_ORYSI; ABAH1_ORYSJ; ABAH2_ARATH; ABAH2_ORYSI; ABAH2_ORYSJ; ABAH3_ARATH; ABAH3_ORYSI; ABAH3_ORYSJ; ABAH4_ARATH; ALDO3_ARATH ChEBI
Therapy abscission-accelerant SMDC MicroSource
Target Others Selleck Chemicals
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
APPEARANCE white to light yellow crystalline powder Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100704-1-O Lactuca Sativa (cluster #1 Of 1), Other Other 5700 0.39 Functional ≤ 10μM
Z50324-2-O Arabidopsis Thaliana (cluster #2 Of 2), Other Other 200 0.49 Functional ≤ 10μM
Z50335-1-O Oryza Sativa (cluster #1 Of 1), Other Other 2100 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50324 Z50324 Arabidopsis Thaliana 200 0.49 Functional ≤ 10μM
Z100704 Z100704 Lactuca Sativa 5700 0.39 Functional ≤ 10μM
Z50335 Z50335 Oryza Sativa 2000 0.42 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )