(+)-Corlumine

Details

• Internal ID: e34dda1a-355d-439d-8fd7-fa76510e8484
• Taxonomy: Alkaloids and derivatives > Phthalide isoquinolines
• IUPAC Name: (6R)-6-[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
• SMILES (Canonical): CN1CCC2=CC(=C(C=C2C1C3C4=C(C5=C(C=C4)OCO5)C(=O)O3)OC)OC
• SMILES (Isomeric): CN1CCC2=CC(=C(C=C2[C@H]1[C@H]3C4=C(C5=C(C=C4)OCO5)C(=O)O3)OC)OC
• InChI: InChI=1S/C21H21NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)18(22)19-12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1
• InChI Key: SZDGAZFTAUFFQH-RBUKOAKNSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₁NO₆
• Molecular Weight: 383.40 g/mol
• Exact Mass: 383.13688739 g/mol
• Topological Polar Surface Area (TPSA): 66.50 Ų
• XlogP: 2.70

Synonyms

• (+)-Corlumine
• (+)-Carlumine
• NSC 32983
• Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)-, (R-(R*,S*))-
• SCHEMBL679701

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.93%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.78%	96.09%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	97.73%	96.77%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	96.60%	93.40%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.80%	85.14%
CHEMBL3192	Q9BY41	Histone deacetylase 8	94.23%	93.99%
CHEMBL2581	P07339	Cathepsin D	93.72%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.65%	86.33%
CHEMBL5311	P37023	Serine/threonine-protein kinase receptor R3	92.46%	82.67%
CHEMBL4247	Q9UM73	ALK tyrosine kinase receptor	90.86%	96.86%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.68%	95.89%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	88.64%	92.62%
CHEMBL2056	P21728	Dopamine D1 receptor	88.60%	91.00%
CHEMBL2535	P11166	Glucose transporter	88.58%	98.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.29%	94.45%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.17%	94.00%
CHEMBL4895	P30530	Tyrosine-protein kinase receptor UFO	86.52%	90.95%
CHEMBL2146302	O94925	Glutaminase kidney isoform, mitochondrial	85.22%	100.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.03%	99.23%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	84.35%	95.89%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	82.72%	82.38%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.94%	97.14%
CHEMBL5925	P22413	Ectonucleotide pyrophosphatase/phosphodiesterase family member 1	81.35%	92.38%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	80.80%	100.00%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.01%	89.62%

Plants that contains it

• Angelica dahurica
• Artabotrys maingayi
• Cocculus laurifolius
• Corydalis govaniana
• Corydalis meifolia
• Corydalis nobilis
• Corydalis ophiocarpa
• Corydalis scouleri
• Corydalis sewerzowi
• Corydalis ternata
• Corydalis thyrsiflora
• Diospyros ebenum
• Fumaria parviflora
• Isertia haenkeana
• Lappula squarrosa
• Ligularia sagitta
• Mezzettia parviflora
• Piper methysticum
• Psacalium peltatum
• Senna spectabilis
• Stachys plumosa
• Symphytum officinale
• Thuja plicata
• Ulex parviflorus subsp. airensis
• Vepris heterophylla

Cross-Links

• PubChem: 5316069
• NPASS: NPC116895
• LOTUS: LTS0227611
• wikiData: Q105349749