Erycibenin A

Details

Top
Internal ID 5435ba2e-d332-4fc6-8164-04d20e5c1138
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones
IUPAC Name 6-[(2S)-2,3-dihydroxy-3-methylbutyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILES (Canonical) CC(C)(C(CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O)O)O
SMILES (Isomeric) CC(C)([C@H](CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O)O)O
InChI InChI=1S/C20H20O7/c1-20(2,26)16(23)7-12-14(22)8-15-17(18(12)24)19(25)13(9-27-15)10-3-5-11(21)6-4-10/h3-6,8-9,16,21-24,26H,7H2,1-2H3/t16-/m0/s1
InChI Key ZTEAOMCBLMDBDX-INIZCTEOSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C20H20O7
Molecular Weight 372.40 g/mol
Exact Mass 372.12090297 g/mol
Topological Polar Surface Area (TPSA) 127.00 Ų
XlogP 2.20

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of Erycibenin A

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
CHEMBL2581 P07339 Cathepsin D 99.44% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.47% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.65% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.34% 85.14%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.66% 99.15%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.37% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.36% 86.33%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 88.07% 90.93%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 87.99% 86.92%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.35% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 87.15% 94.73%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 85.45% 91.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.34% 99.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.84% 90.71%
CHEMBL242 Q92731 Estrogen receptor beta 83.15% 98.35%

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.
Erycibe expansa
Ficus nymphaeifolia

Cross-Links

Top
PubChem 11337736
NPASS NPC51070
ChEMBL CHEMBL241817
LOTUS LTS0241087
wikiData Q105382885