General
Preferred name
Corylin
Synonyms
ISOWIGHTEONE ()
P&D ID
PD078543
CAS
53947-92-5
Tags
available
Structure
Corylin
RO5
MW
320.1
HBA
4
HBD
1
RB
1
LOGP
4.35
4
3
0
1
Structure formats
SMILES
CC1(C)C=Cc2cc(-c3coc4cc(O)ccc4c3=O)ccc2O1
InChI
InChI=1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3
InChIkey
PWAACAMQKVIVPZ-UHFFFAOYSA-N
MOL
Corylin RDKit 2D 24 27 0 0 0 0 0 0 0 0999 V2000 2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6491 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 8 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 2 1 0 23 6 1 0 19 9 1 0 18 12 1 0 M END > <ID> PD078543 > <Name> Corylin
Protein targets
1
4.23
FABI Enoyl-acyl-carrier protein reductase
0
1
Target pathways
0
References
1
2011 Isoflavone dimers and other bioactive constituents from the figs of Ficus mucuso.
Bankeu JJ, Khayala R et al. J. Nat. Prod.
Compound Sets
3
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Available from
5
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
320.1
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
3
cLogP
4.35
TPSA
59.67
Fraction CSP3
0.15
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
JAK/STAT Signaling
Stem Cells
Anti-infection
Stem Cell/Wnt
Target
STAT3
antibiotic
STAT
Immunology & Inflammation related
Source data