Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26607
- Core Entity Id
- 32764
- Source Entity Count
- 1
- Preferred Name
- Mono-p-coumaroyl glyceride
- Name En
- Pubchem Id
- 5319874
- Smiles Canonical
- C1=CC(=CC=C1C=CC(=O)OCC(CO)O)O
- Molecular Formula
- C12H14O5
- Molecular Weight
- 238.2390
- Inchikey
- YUQSZTOOHLGKGG-ZZXKWVIFSA-N
- Inchi
- InChI=1S/C12H14O5/c13-7-11(15)8-17-12(16)6-3-9-1-4-10(14)5-2-9/h1-6,11,13-15H,7-8H2/b6-3+
- Isomeric Smiles
- C1=CC(=CC=C1/C=C/C(=O)OCC(CO)O)O
- Cas Id
- Ob Score
- 57.1500
- Mol Logp
- 0.3018
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mono-P-Coumaroyl Glyceride
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Mono-p-coumaroyl glyceride
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Mono-p-coumaroyl glyceride
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
mono-p-coumaroyl glyceride
Role
preferred
Source
TCMBank
Preferred
Yes
Name
mono-p-coumaroyl glyceride
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(E)-2,3-dihydroxypropyl 3-(4-hydroxyphenyl)acrylate
Role
alias
Source
TCMBank
Preferred
No
Name
1-O-[(E)-3-(4-Hydroxyphenyl)propenoyl]glycerol
Role
alias
Source
TCMBank
Preferred
No
Name
1-O-trans-p-Coumaroylglycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-O-trans-p-Coumaroylglycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-O-trans-p-Coumaroylglycerol
Role
alias
Source
TCMBank
Preferred
No
Name
1-o-coumaroylglycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-o-coumaroylglycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-o-p-coumaroylglycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-o-p-coumaroylglycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-p-Coumaroylglycerol
Role
alias
Source
TCMBank
Preferred
No
Name
106055-11-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
106055-11-2
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-DIHYDROXYPROPYL (2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOATE
Role
alias
Source
TCMBank
Preferred
No
Name
2,3-Dihydroxypropyl (E)-3-(4-hydroxyphenyl)acrylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Dihydroxypropyl (E)-3-(4-hydroxyphenyl)acrylate
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-dihydroxypropyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-dihydroxypropyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
2,3-dihydroxypropyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (2E)-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1NSYR2
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS040763035
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040763035
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glyceryl p-coumarate
Role
alias
Source
TCMBank
Preferred
No
Name
Glyceryl p-coumarate
Role
alias
Source
HERB_v2
Preferred
No
Name
Glyceryl p-coumarate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mono-p-coumaroyl glyceride
Role
alias
Source
TCMBank
Preferred
No
Name
YUQSZTOOHLGKGG-ZZXKWVIFSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
YUQSZTOOHLGKGG-ZZXKWVIFSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
YUQSZTOOHLGKGG-ZZXKWVIFSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
Regaloside D_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Regaloside d_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
regaloside D_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-O-p-coumaroylglycerol
Role
alias
Source
TCMBank
Preferred
No
Name
regaloside A_qt
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-2,3-dihydroxypropyl 3-(4-hydroxyphenyl)acrylate1-O-[(E)-3-(4-Hydroxyphenyl)propenoyl]glycerol1-O-trans-p-Coumaroylglycerol1-o-coumaroylglycerol1-o-p-coumaroylglycerol1-p-Coumaroylglycerol106055-11-22,3-DIHYDROXYPROPYL (2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOATE2,3-Dihydroxypropyl (E)-3-(4-hydroxyphenyl)acrylate2,3-dihydroxypropyl (E)-3-(4-hydroxyphenyl)prop-2-enoate2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (2E)-2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (E)-AC1NSYR2AKOS040763035Glyceryl p-coumarateYUQSZTOOHLGKGG-ZZXKWVIFSA-NRegaloside D_Qtregaloside A_qt
Cross References
Trusted external identifiers retained for this final record.
Cas
106055-11-2
Herb
HBIN035691HBIN041992
Npass
NPC31152NPC160658
Tcmid
14914
Tcmsp
MOL007913MOL008540MOL009447
Sym Map
SMIT00722SMIT10575
Pub Chem
531987413965854
Tcmbank
TCMBANKIN029405TCMBANKIN011045
Etcm Ingredient
mono-p-coumaroyl glyceride
Itcmdb Generated
ITX-INGREDIENT-76470F9887A7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H14O5/c13-7-11(15)8-17-12(16)6-3-9-1-4-10(14)5-2-9/h1-6,11,13-15H,7-8H2/b6-3+
Mol Wt
238.2389999999999
Smiles
C1=CC(=CC=C1C=CC(=O)OCC(CO)O)O
Mol Log P
0.3017999999999992
Version
v1,v2
In Ch Ikey
YUQSZTOOHLGKGG-ZZXKWVIFSA-N
Ob Score
57.1557.15049557.15049548
Suppress
0
Num Hdonors
3
Drug Likeness
0.507
Num Hacceptors
5
Isomeric Smiles
C1=CC(=CC=C1/C=C/C(=O)OCC(CO)O)O
Molecule Weight
238.26
Canonical Smiles
C1=CC(=CC=C1C=CC(=O)OCC(CO)O)O
Herb Alias Names
106055-11-21-o-p-coumaroylglycerol2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (E)-2,3-Dihydroxypropyl (E)-3-(4-hydroxyphenyl)acrylate1-O-trans-p-CoumaroylglycerolGlyceryl p-coumarate1-o-coumaroylglycerol2,3-dihydroxypropyl (E)-3-(4-hydroxyphenyl)prop-2-enoateYUQSZTOOHLGKGG-ZZXKWVIFSA-NAKOS040763035
Molecular Weight
240.100
Molecular Weight
238.24 g/mol
Molecule Formula
C12H14O5
Molecular Formula
C12H16O5
Molecular Formula
C12H14O5
Molecular Formula
C12H14O5
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.019
Quantitative Estimate Of Drug Likeness（Qed）
0.619