Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6462
- Core Entity Id
- 10360
- Source Entity Count
- 1
- Preferred Name
- 5-(2-hydroxyphenoxymethyl)furfural
- Name En
- Pubchem Id
- 636663
- Smiles Canonical
- C1=CC=C(C(=C1)O)OCC2=CC=C(O2)C=O
- Molecular Formula
- C12H10O4
- Molecular Weight
- 218.2080
- Inchikey
- YGLWXHTXSWRORB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H10O4/c13-7-9-5-6-10(16-9)8-15-12-4-2-1-3-11(12)14/h1-7,14H,8H2
- Isomeric Smiles
- C1=CC=C(C(=C1)O)OCC2=CC=C(O2)C=O
- Cas Id
- Ob Score
- Mol Logp
- 2.3767
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-(2-Hydroxyphenoxymethyl)furfural
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5-(2-Hydroxyphenoxymethyl)furfural
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-(2-hydroxyphenoxymethyl)furfural
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5-(2-hydroxyphenoxymethyl)furfural
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
婆罗门皂荚
Role
TCM_name
Source
TCMBank
Preferred
No
Name
PO LUO MEN ZAO JIA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Goldenshower Senna Fruit
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-furancarboxaldehyde, 5-[(2-hydroxyphenoxy)methyl]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-furancarboxaldehyde, 5-[(2-hydroxyphenoxy)methyl]-
Role
alias
Source
HERB_v2
Preferred
No
Name
5-((2-hydroxyphenoxy)methyl)-2-furaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-((2-hydroxyphenoxy)methyl)furan-2-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-[(2-hydroxyphenoxy)methyl]-2-furaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
5-[(2-hydroxyphenoxy)methyl]furan-2-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
婆罗门皂荚PO LUO MEN ZAO JIAGoldenshower Senna Fruit2-furancarboxaldehyde, 5-[(2-hydroxyphenoxy)methyl]-5-((2-hydroxyphenoxy)methyl)-2-furaldehyde5-((2-hydroxyphenoxy)methyl)furan-2-carbaldehyde5-[(2-hydroxyphenoxy)methyl]-2-furaldehyde5-[(2-hydroxyphenoxy)methyl]furan-2-carbaldehyde
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010984
Npass
NPC260239
Tcmid
10602
Pub Chem
636663
Tcmbank
TCMBANKIN044717
Etcm Ingredient
5-(2-Hydroxyphenoxymethyl)furfural
Itcmdb Generated
ITX-INGREDIENT-99F24BBF7D2A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H10O4/c13-7-9-5-6-10(16-9)8-15-12-4-2-1-3-11(12)14/h1-7,14H,8H2
Mol Wt
218.208
Mol Log P
2.3767
In Ch Ikey
YGLWXHTXSWRORB-UHFFFAOYSA-N
Tcm Name
婆罗门皂荚
Tcm Name2
PO LUO MEN ZAO JIA
Mol2 Path
/TCM_database/2007_3d_all/10603.mol2
Reference
4642
Num Hdonors
1
Tcm Name En
Goldenshower Senna Fruit
Drug Likeness
0.8
Num Hacceptors
4
Isomeric Smiles
C1=CC=C(C(=C1)O)OCC2=CC=C(O2)C=O
Canonical Smiles
C1=CC=C(C(=C1)O)OCC2=CC=C(O2)C=O
Herb Alias Names
5-[(2-hydroxyphenoxy)methyl]furan-2-carbaldehyde5-[(2-hydroxyphenoxy)methyl]-2-furaldehyde5-(2-Hydroxy-phenoxymethyl)-furan-2-carbaldehyde2-furancarboxaldehyde, 5-[(2-hydroxyphenoxy)methyl]-5-((2-hydroxyphenoxy)methyl)-2-furaldehyde5-((2-hydroxyphenoxy)methyl)furan-2-carbaldehyde2-furancarboxaldehyde, 5-((2-hydroxyphenoxy)methyl)-
Molecular Weight
204.040
Molecular Weight
218.2 g/mol
Molecular Formula
C11H8O4
Molecular Formula
C12H10O4
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.039
Quantitative Estimate Of Drug Likeness（Qed）
0.780