Launobine

Details

Top
Internal ID 7992a008-6061-424d-bb1e-d6910a07ba04
Taxonomy Alkaloids and derivatives > Aporphines
IUPAC Name (12S)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol
SMILES (Canonical) COC1=C(C2=C(CC3C4=C2C5=C(C=C4CCN3)OCO5)C=C1)O
SMILES (Isomeric) COC1=C(C2=C(C[C@H]3C4=C2C5=C(C=C4CCN3)OCO5)C=C1)O
InChI InChI=1S/C18H17NO4/c1-21-12-3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17(12)20/h2-3,7,11,19-20H,4-6,8H2,1H3/t11-/m0/s1
InChI Key JIFBCUOVFPCZEW-NSHDSACASA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C18H17NO4
Molecular Weight 311.30 g/mol
Exact Mass 311.11575802 g/mol
Topological Polar Surface Area (TPSA) 60.00 Ų
XlogP 2.40

Synonyms

Top
20497-21-6
(+)-Launobine
Norbulbocapnine
(+)-Launobine;
(12S)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol
(S)-11-methoxy-6,7,7a,8-tetrahydro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]benzo[g]quinolin-12-ol
CHEMBL516862
DTXSID10942669
CHEBI:174971
AKOS040752437
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Launobine

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.78% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.45% 94.45%
CHEMBL1951 P21397 Monoamine oxidase A 96.97% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.23% 96.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 94.79% 93.99%
CHEMBL3137262 O60341 LSD1/CoREST complex 93.90% 97.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.18% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 91.97% 95.89%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 90.49% 92.62%
CHEMBL4208 P20618 Proteasome component C5 89.27% 90.00%
CHEMBL3438 Q05513 Protein kinase C zeta 88.05% 88.48%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.04% 94.00%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 87.99% 96.77%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 86.16% 95.78%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.54% 100.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 85.07% 89.62%
CHEMBL2581 P07339 Cathepsin D 84.85% 98.95%
CHEMBL3231 Q13464 Rho-associated protein kinase 1 84.73% 95.55%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 84.71% 82.67%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.50% 99.17%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.80% 92.94%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.76% 89.00%
CHEMBL2413 P32246 C-C chemokine receptor type 1 82.19% 89.50%
CHEMBL213 P08588 Beta-1 adrenergic receptor 82.05% 95.56%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.74% 95.56%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 81.00% 96.21%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Cassytha filiformis
Illigera luzonensis
Lindera umbellata

Cross-Links

Top
PubChem 177134
LOTUS LTS0061957
wikiData Q82919674