Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 11Ingredient: 1Target: 12Links: 23
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1743
- Core Entity Id
- 5127
- Source Entity Count
- 1
- Preferred Name
- 2-coumarate
- Name En
- Pubchem Id
- 54693535
- Smiles Canonical
- C1=CC=C(C(=C1)C=CC(=O)O)[O-]
- Molecular Formula
- C9H8O3
- Molecular Weight
- 164.1600
- Inchikey
- PMOWTIHVNWZYFI-AATRIKPKSA-N
- Inchi
- InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
- Isomeric Smiles
- C1=CC=C(C(=C1)/C=C/C(=O)O)O
- Cas Id
- 583-17-5
- Ob Score
- 53.6040
- Mol Logp
- 1.4900
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Coumarate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-coumarate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-coumarate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(E)-o-Hydroxycinnamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-o-Hydroxycinnamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Coumaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Coumaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxycinnamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxycinnamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2-hydroxyphenyl)acrylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2-hydroxyphenyl)acrylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
614-60-8
Role
alias
Source
HERB_v2
Preferred
No
Name
614-60-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
o-Coumaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
o-Coumaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-2-Hydroxycinnamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-2-Hydroxycinnamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-o-Coumaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-o-Coumaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-o-Hydroxycinnamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-o-Hydroxycinnamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-o-Hydroxycinnamic acid2-Coumaric acid2-Hydroxycinnamic acid3-(2-hydroxyphenyl)acrylic acid614-60-8o-Coumaric acidtrans-2-Hydroxycinnamic acidtrans-o-Coumaric acidtrans-o-Hydroxycinnamic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
583-17-5
Herb
HBIN005474
Npass
NPC246679
Tcmid
30818334034134
Tcmsp
MOL004102
Sym Map
SMIT06077SMIT14774
Tcm Id
24119
Pub Chem
54693535637540
Drug Bank
DB01650
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
Mol Wt
164.16
Cas Id
583-17-5
Mol Log P
1.49
Version
v1,v2
In Ch Ikey
PMOWTIHVNWZYFI-AATRIKPKSA-N
Ob Score
53.60453.60434578
Suppress
0
Num Hdonors
2
Drug Likeness
0.651
Num Hacceptors
2
Isomeric Smiles
C1=CC=C(C(=C1)/C=C/C(=O)O)O
Molecule Weight
164.17
Canonical Smiles
C1=CC=C(C(=C1)C=CC(=O)O)O
Herb Alias Names
2-Hydroxycinnamic acid614-60-8trans-2-Hydroxycinnamic acido-Coumaric acid2-Coumaric acidtrans-o-Hydroxycinnamic acidtrans-o-Coumaric acid3-(2-hydroxyphenyl)acrylic acid(E)-o-Hydroxycinnamic acid
Molecular Formula
C9H8O3
Num Rotatable Bonds
2