Ravidomycin

Details

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Internal ID 6d5d9749-1e53-48ac-a5e8-31469bae274a
Taxonomy Organoheterocyclic compounds > Naphthopyrans
IUPAC Name [(2R,3R,4R,5R)-4-(dimethylamino)-6-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-5-hydroxy-2-methyloxan-3-yl] acetate
SMILES (Canonical) CC1C(C(C(C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C=C)OC)OC)O)N(C)C)OC(=O)C
SMILES (Isomeric) C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C=C)OC)OC)O)N(C)C)OC(=O)C
InChI InChI=1S/C31H33NO9/c1-8-16-11-19-23(21(12-16)37-6)18-13-22(38-7)25-20(34)10-9-17(24(25)29(18)41-31(19)36)30-27(35)26(32(4)5)28(14(2)39-30)40-15(3)33/h8-14,26-28,30,34-35H,1H2,2-7H3/t14-,26-,27-,28+,30?/m1/s1
InChI Key GHLIFBNIGXVDHM-VQXSZRIGSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C31H33NO9
Molecular Weight 563.60 g/mol
Exact Mass 563.21553163 g/mol
Topological Polar Surface Area (TPSA) 124.00 Ų
XlogP 4.00

Synonyms

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74622-75-6
AY 25545
[(2R,3R,4R,5R)-4-(dimethylamino)-6-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-5-hydroxy-2-methyloxan-3-yl] acetate
AY-25,545
CHEBI:84037
DTXSID90996125
6H-Benzo(d)naphtho(1,2-b)pyran-6-one, 4-(4-O-acetyl-3,6-dideoxy-3-(dimethylamino)-alpha-altropyranosyl)-10,12-dimethoxy-8-ethenyl-1-hydroxy-
AY-25545
Q27157421
(1xi)-4-O-acetyl-1,5-anhydro-3,6-dideoxy-3-(dimethylamino)-1-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-D-galactitol
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Ravidomycin

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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 99.49% 91.11%
CHEMBL4040 P28482 MAP kinase ERK2 98.92% 83.82%
CHEMBL2581 P07339 Cathepsin D 97.50% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 97.40% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.90% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.60% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 90.78% 94.73%
CHEMBL340 P08684 Cytochrome P450 3A4 90.37% 91.19%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.76% 99.17%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.95% 99.23%
CHEMBL2535 P11166 Glucose transporter 85.77% 98.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.71% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.39% 94.00%
CHEMBL1255126 O15151 Protein Mdm4 83.18% 90.20%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.78% 92.62%
CHEMBL4530 P00488 Coagulation factor XIII 82.61% 96.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.19% 95.89%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.15% 97.14%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 126647
LOTUS LTS0017397
wikiData Q27157421