Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26161
- Core Entity Id
- 32269
- Source Entity Count
- 1
- Preferred Name
- Methylbenzofuran
- Name En
- Pubchem Id
- 20263
- Smiles Canonical
- CC1=CC2=CC=CC=C2O1
- Molecular Formula
- C9H8O
- Molecular Weight
- 132.1620
- Inchikey
- GBGPVUAOTCNZPT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3
- Isomeric Smiles
- CC1=CC2=CC=CC=C2O1
- Cas Id
- 25586-38-3
- Ob Score
- 54.3526
- Mol Logp
- 2.7412
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
METHYLBENZOFURAN
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Methylbenzofuran
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Methylbenzofuran
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Methylbenzofuran
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-METHYLBENZOFURAN
Role
alias
Source
TCMBank
Preferred
No
Name
2-METHYLBENZOFURAN
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methyl-1-benzofuran
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methyl-1-benzofuran
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methylbenzo[b]furan
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methylbenzo[b]furan
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methylcumarone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methylcumarone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methyl-1-benzofuran
Role
alias
Source
TCMBank
Preferred
No
Name
2-methyl-benzofuran
Role
alias
Source
itcmdb_public
Preferred
No
Name
224340_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
25586-38-3
Role
alias
Source
TCMBank
Preferred
No
Name
4265-25-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
4265-25-2
Role
alias
Source
TCMBank
Preferred
No
Name
4265-25-2
Role
alias
Source
HERB_v2
Preferred
No
Name
65850_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
8X3183BZ3X
Role
alias
Source
HERB_v2
Preferred
No
Name
8X3183BZ3X
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-11240
Role
alias
Source
TCMBank
Preferred
No
Name
Benzofuran, 2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzofuran, 2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzofuran, 2-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzofuran, methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 224-249-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 224-249-1
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 224-249-1
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-8X3183BZ3X
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-8X3183BZ3X
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-METHYLBENZOFURAN2-Methyl-1-benzofuran2-Methylbenzo[b]furan2-Methylcumarone2-methyl-benzofuran224340_ALDRICH25586-38-34265-25-265850_FLUKA8X3183BZ3XAI3-11240Benzofuran, 2-methyl-Benzofuran, methyl-EINECS 224-249-1InChI=1/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1HUNII-8X3183BZ3X
Cross References
Trusted external identifiers retained for this final record.
Cas
25586-38-3
Herb
HBIN035105
Npass
NPC246611
Tcmsp
MOL003528
Sym Map
SMIT05587
Pub Chem
20263
Tcmbank
TCMBANKIN033923
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3
Mol Wt
132.162
Cas Id
25586-38-3
Smiles
CC1=CC2=CC=CC=C2O1
Mol Log P
2.741220000000001
Version
v1,v2
In Ch Ikey
GBGPVUAOTCNZPT-UHFFFAOYSA-N
Ob Score
54.35255954.3525594854.353
Suppress
0
Num Hdonors
0
Drug Likeness
0.537
Num Hacceptors
1
Isomeric Smiles
CC1=CC2=CC=CC=C2O1
Molecule Weight
132.17
Canonical Smiles
CC1=CC2=CC=CC=C2O1
Herb Alias Names
2-METHYLBENZOFURAN4265-25-22-Methyl-1-benzofuran2-MethylcumaroneBenzofuran, 2-methyl-2-Methylbenzo[b]furan2-methyl-benzofuranUNII-8X3183BZ3X8X3183BZ3XEINECS 224-249-1
Molecular Weight
132.16 g/mol
Molecular Formula
C9H8O
Molecular Formula
C9H8O
Num Rotatable Bonds
0