Clauraila D

Details

• Internal ID: a14d79fb-af63-4873-a870-b4c32a8d947e
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
• IUPAC Name: 9-hydroxy-3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carbaldehyde
• SMILES (Canonical): CC1(C=CC2=C(O1)C=CC3=C2C4=C(N3)C=C(C(=C4)C=O)O)C
• SMILES (Isomeric): CC1(C=CC2=C(O1)C=CC3=C2C4=C(N3)C=C(C(=C4)C=O)O)C
• InChI: InChI=1S/C18H15NO3/c1-18(2)6-5-11-16(22-18)4-3-13-17(11)12-7-10(9-20)15(21)8-14(12)19-13/h3-9,19,21H,1-2H3
• InChI Key: FKVAMCZERBVNQE-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₅NO₃
• Molecular Weight: 293.30 g/mol
• Exact Mass: 293.10519334 g/mol
• Topological Polar Surface Area (TPSA): 62.30 Ų
• XlogP: 4.00

Synonyms

• CHEBI:69925
• Claurailas D
• Clauralia D
• CHEMBL1689798
• Q27138269

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	99.74%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.01%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	97.11%	91.49%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	96.38%	98.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.54%	95.56%
CHEMBL2581	P07339	Cathepsin D	93.18%	98.95%
CHEMBL4208	P20618	Proteasome component C5	92.47%	90.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.82%	89.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.65%	96.09%
CHEMBL2292	Q13627	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	89.04%	93.24%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	88.00%	94.80%
CHEMBL2535	P11166	Glucose transporter	87.11%	98.75%
CHEMBL4225	P49760	Dual specificity protein kinase CLK2	84.97%	80.96%
CHEMBL3401	O75469	Pregnane X receptor	84.40%	94.73%
CHEMBL1937	Q92769	Histone deacetylase 2	83.34%	94.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.82%	86.33%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	82.55%	85.30%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	82.54%	91.71%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	81.62%	93.40%

Plants that contains it

• Bulbine asphodeloides
• Cicer cuneatum
• Clausena harmandiana
• Croton hutchinsonianus
• Delphinium speciosum
• Griselinia scandens
• Gutenbergia cordifolia var. marginata
• Helicia nilagirica
• Ipomoea carnea
• Iris sanguinea
• Mesosphaerum urticodes
• Monachosorum maximowiczii
• Nardia scalaris
• Podocalyx loranthoides
• Rhododendron edgeworthii
• Trixis grisebachii
• Yucca elata

Cross-Links

• PubChem: 51039828
• NPASS: NPC6786
• ChEMBL: CHEMBL1689798
• LOTUS: LTS0259290
• wikiData: Q27138269