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⚗️ Ingredient

Abk

1
Clinical Trials
0
Meta-Analyses
4
PubMed References
Top Conditions Studied with Abk
📋 Sample Trials
NCT04722354
Abscisic Acid Effects on Glucose Homeostasis and Insulin Sensitivity
Active_Not_Recruiting · Phase 2
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
PMID 33182586
Phytohormone Abscisic Acid Improves Memory Impairment and Reduces Neuroinflammation in 5xFAD Mice by Upregulation of LanC-Like Protein 2
Int J Mol Sci · 2020
PMID 33296752
Abscisic acid regulates dormancy of prostate cancer disseminated tumor cells in the bone marrow
Neoplasia · 2021
PMID 33570219
Abscisic acid suppresses the activation of NLRP3 inflammasome and oxidative stress in murine allergic airway inflammation
Phytother Res · 2021
⚗️ All Ingredient data fields for Abk
⚗️ Identity
Name
Abk
Aliases / Synonyms
21293-29-8; ABSCISIC ACID; (+)-Abscisic acid; (+)-cis,trans-Abscisic Acid; (S)-(+)-Abscisic acid; Abscisin II; (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid; Dormin; ABA; 2-cis,4-trans-Abscisic acid
🧪 Chemistry
Molecular Weight
264.3210
LogP
2.2499
Drug-likeness
0.605
Oral Bioavailability
63.6720
H-Bond Acceptors
3
H-Bond Donors
2
Rotatable Bonds
3
🔬 Structures
Canonical SMILES
CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C
Isomeric SMILES
CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C
InChIKey
JLIDBLDQVAYHNE-YKALOCIXSA-N
InChI
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-/t15-/m1/s1
🔗 External References
PubChem CID
CAS Number
NPASS
NPC225665
HIT
C0737
SymMap
7191
TCMSP
MOL005432
🔍 Raw view — every non-empty column on this row (32 fields)
name
Abk
common names
21293-29-8; ABSCISIC ACID; (+)-Abscisic acid; (+)-cis,trans-Abscisic Acid; (S)-(+)-Abscisic acid; Abscisin II; (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid; Dormin; ABA; 2-cis,4-trans-Abscisic acid
herb ingredient id
HBIN014230
canonical smiles
CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C
isomeric smiles
CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C
inchi
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-/t15-/m1/s1
inchikey
JLIDBLDQVAYHNE-YKALOCIXSA-N
mol wt
264.3210
num h acceptors
3
num h donors
2
mol logp
2.2499
num rotatable bonds
3
drug likeness
0.605
ob score
63.6720
cas id
21293-29-8
symmap mol id
7191
tcmsp ingredient id
MOL005432
pubchem cid
5280896
npass id
NPC225665
hit id
C0737

📋 Clinical Trials

1 · subject of clinical study
NCT04722354 Abscisic Acid Effects on Glucose Homeostasis and Insulin Sensitivity
→ Pre Diabetes

📚 PubMed References

4 · cited research
PMID 33182586 Phytohormone Abscisic Acid Improves Memory Impairment and Reduces Neuroinflammat
Int J Mol Sci
PMID 33296752 Abscisic acid regulates dormancy of prostate cancer disseminated tumor cells in
Neoplasia
PMID 33570219 Abscisic acid suppresses the activation of NLRP3 inflammasome and oxidative stre
Phytother Res
PMID 34791723 Abscisic acid inhibited reactive oxygen species-mediated endoplasmic reticulum s
Phytother Res
How relationships are computed
  • Clinical Trials / Meta-Analyses / References: direct foreign-key link via subject_entity_id (Phase 2d wireup)
  • Formula ↔ Herbs: text bridge via formulas.herbs_in_pinyin matching herbs.pinyin_name
  • Herb ↔ Ingredient: empty — needs HERB_herb_ingredient import
  • Ingredient ↔ Target: empty — needs HERB_ingredient_target import
  • Target ↔ Disease: empty — needs HERB_target_disease import
  • Herb → Target → Disease (full chemical spine): awaiting Phase 2e link tables