Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34268
- Core Entity Id
- 41286
- Source Entity Count
- 1
- Preferred Name
- Sygringaresinol
- Name En
- Pubchem Id
- 71406631
- Smiles Canonical
- COC1=C(C=CC(=C1)C(=O)O)OC(=O)CCC2=CC(=CC=C2)O
- Molecular Formula
- C17H16O6
- Molecular Weight
- 316.3090
- Inchikey
- LLGWMULZTIEEQK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O6/c1-22-15-10-12(17(20)21)6-7-14(15)23-16(19)8-5-11-3-2-4-13(18)9-11/h2-4,6-7,9-10,18H,5,8H2,1H3,(H,20,21)
- Isomeric Smiles
- COC1=C(C=CC(=C1)C(=O)O)OC(=O)CCC2=CC(=CC=C2)O
- Cas Id
- Ob Score
- 11.1168
- Mol Logp
- 2.6372
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.6280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sygringaresinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sygringaresinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sygringaresinol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
sygringaresinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
sygringaresinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-{[3-(3-Hydroxyphenyl)propanoyl]oxy}-3-methoxybenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-{[3-(3-Hydroxyphenyl)propanoyl]oxy}-3-methoxybenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
849431-12-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
849431-12-5
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80827232
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80827232
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-{[3-(3-Hydroxyphenyl)propanoyl]oxy}-3-methoxybenzoic acid849431-12-5DTXSID80827232
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045203
Tcmid
20637
Tcmsp
MOL005987
Sym Map
SMIT07668SMIT17844
Pub Chem
71406631
Tcmbank
TCMBANKIN035831
Etcm Ingredient
sygringaresinol
Itcmdb Generated
ITX-INGREDIENT-9D8168D3678B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H16O6/c1-22-15-10-12(17(20)21)6-7-14(15)23-16(19)8-5-11-3-2-4-13(18)9-11/h2-4,6-7,9-10,18H,5,8H2,1H3,(H,20,21)
Mol Wt
316.309
Mol Log P
2.637200000000001
Version
v1,v2
In Ch Ikey
LLGWMULZTIEEQK-UHFFFAOYSA-N
Ob Score
11.11680511.1168053111.117
Suppress
0
Num Hdonors
2
Drug Likeness
0.628
Num Hacceptors
5
Isomeric Smiles
COC1=C(C=CC(=C1)C(=O)O)OC(=O)CCC2=CC(=CC=C2)O
Molecule Weight
316.33
Canonical Smiles
COC1=C(C=CC(=C1)C(=O)O)OC(=O)CCC2=CC(=CC=C2)O
Herb Alias Names
849431-12-5DTXSID808272324-{[3-(3-Hydroxyphenyl)propanoyl]oxy}-3-methoxybenzoic acid
Molecular Weight
316.090
Molecular Weight
316.33
Molecular Formula
C17H16O6
Molecular Formula
C17H16O6
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.047
Quantitative Estimate Of Drug Likeness（Qed）
0.628