IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
cis-p-Coumaric acid
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY011972
Phytochemical name:
cis-p-Coumaric acid
Synonymous chemical names:
cis-p-coumaric acid
External chemical identifiers:
CID:1549106
,
ChEMBL:CHEMBL2336752
,
ChEBI:17450
,
ZINC:ZINC000004632590
,
SureChEMBL:SCHEMBL434720
Chemical structure information
SMILES:
OC(=O)/C=Cc1ccc(cc1)O
InChI:
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3-
InChIKey:
NGSWKAQJJWESNS-UTCJRWHESA-N
DeepSMILES:
OC=O)/C=Ccccccc6))O
Functional groups:
c/C=CC(=O)O, cO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1
Scaffold Graph/Node level:
C1CCCCC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Phenylpropanoids and polyketides
ClassyFire Class:
Cinnamic acids and derivatives
ClassyFire Subclass:
Hydroxycinnamic acids and derivatives
NP Classifier Biosynthetic pathway:
Shikimates and Phenylpropanoids
NP Classifier Superclass:
Phenylpropanoids (C6-C3)
NP Classifier Class:
Cinnamic acids and derivatives
NP-Likeness score:
0.841
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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