Ericamycin

Details

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Internal ID 61f75d39-cd99-437b-87d7-cea9b7d678a6
Taxonomy Benzenoids > Naphthacenes > Tetracenequinones
IUPAC Name (12S,13S)-3,12,19,26-tetrahydroxy-13-methoxy-7,20-dimethyl-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(26),2(11),3,7,9,14,16(25),18(23),19,21-decaene-5,17,24-trione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H21NO8/c1-9-4-5-12-19(21(9)30)23(32)14-8-15-18(26(35)20(14)22(12)31)17-13(24(33)27(15)37-3)7-11-6-10(2)29-28(36)16(11)25(17)34/h4-8,24,27,30,33-35H,1-3H3,(H,29,36)/t24-,27-/m0/s1
InChI Key AYAYSZMHAWZBCX-IGKIAQTJSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C28H21NO8
Molecular Weight 499.50 g/mol
Exact Mass 499.12671663 g/mol
Topological Polar Surface Area (TPSA) 153.00 Ų
XlogP 3.80

Synonyms

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11052-01-0
DTXSID80149269
(12S,13S)-3,12,19,26-tetrahydroxy-13-methoxy-7,20-dimethyl-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(26),2(11),3,7,9,14,16(25),18(23),19,21-decaene-5,17,24-trione
(12S,13S)-3,12,19,26-tetrahydroxy-13-methoxy-7,20-dimethyl-6-azahexacyclo(12.12.0.02,11.04,9.016,25.018,23)hexacosa-1(26),2(11),3,7,9,14,16(25),18(23),19,21-decaene-5,17,24-trione
RefChem:137570
DTXCID4071760
Eriamycin
(6S,7S)-6,10,15,16-Tetrahydroxy-7-methoxy-3,11-dimethyl-6,7-dihydrotetraceno[2,1-g]isoquinoline-1,9,14(2H)-trione
orb3024874
SCHEMBL29378183
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Ericamycin

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
CHEMBL2581 P07339 Cathepsin D 97.13% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.94% 85.14%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 92.69% 92.68%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.44% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.24% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.57% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.38% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 88.04% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.86% 96.09%
CHEMBL230 P35354 Cyclooxygenase-2 86.72% 89.63%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 86.65% 96.67%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 86.58% 91.71%
CHEMBL2073 P07947 Tyrosine-protein kinase YES 86.04% 83.14%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 85.60% 93.03%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 85.35% 99.15%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.25% 99.23%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 83.79% 97.21%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 83.38% 91.79%
CHEMBL1937 Q92769 Histone deacetylase 2 82.18% 94.75%
CHEMBL3116 P50750 Cyclin-dependent kinase 9 81.58% 96.31%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.68% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.62% 95.89%
CHEMBL2535 P11166 Glucose transporter 80.51% 98.75%

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 5488988
LOTUS LTS0131885
wikiData Q76309652