Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 11Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 838
- Core Entity Id
- 4125
- Source Entity Count
- 1
- Preferred Name
- 2-(4-hydroxyphenyl)ethyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
- Name En
- Pubchem Id
- 16119626
- Smiles Canonical
- C1=CC(=CC=C1CCOC(=O)C=CC2=CC=C(C=C2)O)O
- Molecular Formula
- C17H16O4
- Molecular Weight
- 284.3110
- Inchikey
- ZCFLGZLKECDZFW-BJMVGYQFSA-N
- Inchi
- InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
- Isomeric Smiles
- C1=CC(=CC=C1CCOC(=O)/C=C/C2=CC=C(C=C2)O)O
- Cas Id
- Ob Score
- 93.3555
- Mol Logp
- 2.8969
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-(4-Hydroxyphenyl)Ethyl (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-(4-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(4-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-(4-hydroxyphenyl)ethyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-(4-hydroxyphenyl)ethyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(E)-3-(4-hydroxyphenyl)acrylic acid 2-(4-hydroxyphenyl)ethyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-(4-hydroxyphenyl)prop-2-enoic acid 2-(4-hydroxyphenyl)ethyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
115777-79-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
115777-79-2
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxyphenethyl 3-(4-hydroxyphenyl)acrylate
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxyphenethyl 3-(4-hydroxyphenyl)acrylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040735764
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040735764
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50131679
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50131679
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3628211
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3628211
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL12246715
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL12246715
Role
alias
Source
HERB_v2
Preferred
No
Name
p-hydroxyphenylethyl p-coumarate
Role
alias
Source
HERB_v2
Preferred
No
Name
p-hydroxyphenylethyl p-coumarate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-3-(4-hydroxyphenyl)acrylic acid 2-(4-hydroxyphenyl)ethyl ester(E)-3-(4-hydroxyphenyl)prop-2-enoic acid 2-(4-hydroxyphenyl)ethyl ester115777-79-24-Hydroxyphenethyl 3-(4-hydroxyphenyl)acrylateAKOS040735764BDBM50131679CHEMBL3628211SCHEMBL12246715p-hydroxyphenylethyl p-coumarate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004422
Tcmsp
MOL007923
Sym Map
SMIT09272
Pub Chem
16119626
Tcmbank
TCMBANKIN019895
Etcm Ingredient
2-(4-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Itcmdb Generated
ITX-INGREDIENT-85DB2C9AFE43
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
Mol Wt
284.311
Mol Log P
2.896900000000002
Version
v1,v2
In Ch Ikey
ZCFLGZLKECDZFW-BJMVGYQFSA-N
Ob Score
93.35551993.3555194993.356
Suppress
0
Num Hdonors
2
Drug Likeness
0.654
Num Hacceptors
4
Isomeric Smiles
C1=CC(=CC=C1CCOC(=O)/C=C/C2=CC=C(C=C2)O)O
Molecule Weight
284.33
Canonical Smiles
C1=CC(=CC=C1CCOC(=O)C=CC2=CC=C(C=C2)O)O
Herb Alias Names
p-hydroxyphenylethyl p-coumarateCHEMBL36282114-Hydroxyphenethyl 3-(4-hydroxyphenyl)acrylate115777-79-2SCHEMBL12246715BDBM50131679AKOS040735764
Molecular Weight
284.100
Molecular Weight
284.33
Molecular Formula
C17H16O4
Molecular Formula
C17H16O4
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.283
Quantitative Estimate Of Drug Likeness（Qed）
0.654