Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 8Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1732
- Core Entity Id
- 5114
- Source Entity Count
- 1
- Preferred Name
- 2-cinnamoyl-glucose
- Name En
- Pubchem Id
- 129650403
- Smiles Canonical
- C1=CC=C(C=C1)C=CC(=O)C(C=O)(C(C(C(CO)O)O)O)O
- Molecular Formula
- C15H18O7
- Molecular Weight
- 310.3020
- Inchikey
- HKDUATMRWAEBPA-REBRKWNGSA-N
- Inchi
- InChI=1S/C15H18O7/c16-8-11(18)13(20)14(21)15(22,9-17)12(19)7-6-10-4-2-1-3-5-10/h1-7,9,11,13-14,16,18,20-22H,8H2/t11-,13-,14+,15-/m1/s1
- Isomeric Smiles
- C1=CC=C(C=C1)C=CC(=O)[C@](C=O)([C@H]([C@@H]([C@@H](CO)O)O)O)O
- Cas Id
- Ob Score
- 17.0230
- Mol Logp
- -1.7261
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.2190
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Cinnamoyl-Glucose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-Cinnamoyl-glucose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-Cinnamoyl-glucose
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-cinnamoyl-glucose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-cinnamoyl-glucose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(E)-3-phenylacrylic acid [(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl] ester
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-phenylprop-2-enoic acid [(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl] ester
Role
alias
Source
TCMBank
Preferred
No
Name
2-cinnamoyl-glucose
Role
alias
Source
TCMBank
Preferred
No
Name
[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-phenylprop-2-enoate
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-3-phenylacrylic acid [(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl] ester(E)-3-phenylprop-2-enoic acid [(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl] ester[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-phenylprop-2-enoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005460
Tcmid
3706
Tcmsp
MOL002232
Sym Map
SMIT04518SMIT14680
Pub Chem
129650403
Tcmbank
TCMBANKIN026344
Etcm Ingredient
2-Cinnamoyl-glucose
Itcmdb Generated
ITX-INGREDIENT-A731A5EB48C1
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H18O7/c16-8-11(18)13(20)14(21)15(22,9-17)12(19)7-6-10-4-2-1-3-5-10/h1-7,9,11,13-14,16,18,20-22H,8H2/t11-,13-,14+,15-/m1/s1
Mol Wt
310.302
Smiles
C1=CC=C(C=C1)C=CC(=O)C(C=O)(C(C(C(CO)O)O)O)O
Mol Log P
-1.7261
Version
v1,v2
In Ch Ikey
HKDUATMRWAEBPA-REBRKWNGSA-N
Ob Score
17.02317.023152917.023153
Suppress
1
Num Hdonors
5
Drug Likeness
0.219
Num Hacceptors
7
Isomeric Smiles
C1=CC=C(C=C1)C=CC(=O)[C@](C=O)([C@H]([C@@H]([C@@H](CO)O)O)O)O
Molecule Weight
310.33
Canonical Smiles
C1=CC=C(C=C1)C=CC(=O)C(C=O)(C(C(C(CO)O)O)O)O
Molecular Weight
310.110
Molecular Weight
310.3 g/mol
Molecule Formula
C15H18O7
Molecular Formula
C15H18O7
Molecular Formula
C15H18O7
Molecular Formula
C15H18O7
Num Rotatable Bonds
8
Link Ingredient Id
4518.0
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.418