UCSF

ZINC00001601

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 16 Yes

Popular Name: Kinetin Kinetin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 177966-68-6 , 525-79-1 , [525-79-1]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.26 5.13 -10.69 2 6 0 80 215.216 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 269 - 271 Acros Organics
MP 269-271 °C (dec.)(lit.) Indofine
Purity 95% Fluorochem
Purity 97% APIChem
UniProt Database Links AB4B_ARATH; CKX1_MAIZE; PUP1_ARATH; PUP2_ARATH; SOT16_ARATH; TUR2_SPIPO; U76C1_ARATH; U76C2_ARATH ChEBI
Therapy auxin, plant growth regulator, plant cell division promotor SMDC MicroSource
Melting_Point ca 270? dec. Alfa-Aesar
Melting_Point ca 270° dec. Alfa-Aesar
Indications cytokinin plant phytohormone KeyOrganics Bioactives
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed; H315: Causes skin irritation Acros Organics
Target Mitogen-activated protein kinase 3(P27361)&Mitogen-activated protein kinase 12(P53778) Herbal Ingredients Targets
Target Others Selleck Chemicals
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Patent Database Links US2007259334 ChEBI
Notes White to off-white powderPlant tissue culture tested Apollo Scientific Bioactives
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CHIT-2-F Endochitinase (cluster #2 Of 2), Fungal Fungi 3200 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CHIT_YEAST P29029 Endochitinase, Yeast 3200 0.48 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.