Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 3Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6184
- Core Entity Id
- 10056
- Source Entity Count
- 1
- Preferred Name
- 4-methyl-2,3-dihydrofuran
- Name En
- Pubchem Id
- 36744
- Smiles Canonical
- CC1=COCC1
- Molecular Formula
- C5H8O
- Molecular Weight
- 84.1180
- Inchikey
- FWGYRFWKBWPRJD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H8O/c1-5-2-3-6-4-5/h4H,2-3H2,1H3
- Isomeric Smiles
- CC1=COCC1
- Cas Id
- 34314-83-5
- Ob Score
- 97.9738
- Mol Logp
- 1.3105
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Methyl-2,3-Dihydrofuran
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-Methyl-2,3-dihydrofuran
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-methyl-2,3-dihydrofuran
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-methyl-2,3-dihydrofuran
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3-DIHYDRO-4-METHYLFURAN
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-DIHYDRO-4-METHYLFURAN
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methyl-4-5-dihydrofuran
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methyl-4,5-dihydrofuran
Role
alias
Source
HERB_v2
Preferred
No
Name
34314-83-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
34314-83-5
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:51678
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:51678
Role
alias
Source
itcmdb_public
Preferred
No
Name
Furan, 2,3-dihydro-4-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Furan, 2,3-dihydro-4-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-UPC854280M
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-UPC854280M
Role
alias
Source
itcmdb_public
Preferred
No
Name
UPC854280M
Role
alias
Source
HERB_v2
Preferred
No
Name
UPC854280M
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-dihydro-4-methylfuran
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
2,3-DIHYDRO-4-METHYLFURAN3-Methyl-4-5-dihydrofuran3-methyl-4,5-dihydrofuran34314-83-5CHEBI:51678Furan, 2,3-dihydro-4-methyl-UNII-UPC854280MUPC854280M
Cross References
Trusted external identifiers retained for this final record.
Cas
34314-83-5
Herb
HBIN010662HBIN003996
Tcmsp
MOL011546
Sym Map
SMIT12427
Tcm Id
8949
Pub Chem
36744
Tcmbank
TCMBANKIN060057
Etcm Ingredient
4-Methyl-2,3-dihydrofuran
Itcmdb Generated
ITX-INGREDIENT-B8478D6CA362
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H8O/c1-5-2-3-6-4-5/h4H,2-3H2,1H3
Mol Wt
84.11800000000001
Cas Id
34314-83-5
Smiles
CC1=COCC1
Mol Log P
1.3105
Version
v1,v2
In Ch Ikey
FWGYRFWKBWPRJD-UHFFFAOYSA-N
Ob Score
97.9738106397.974
Suppress
0
Num Hdonors
0
Drug Likeness
0.43
Num Hacceptors
1
Isomeric Smiles
CC1=COCC1
Molecule Weight
84.13
Canonical Smiles
CC1=COCC1
Herb Alias Names
3-methyl-4,5-dihydrofuran34314-83-52,3-DIHYDRO-4-METHYLFURANFuran, 2,3-dihydro-4-methyl-UNII-UPC854280MUPC854280M3-Methyl-4-5-dihydrofuran2,3-Dihydro-4-methyl-FuranCHEBI:51678
Molecular Weight
84.060
Molecular Weight
84.12 g/mol
Molecular Formula
C5H8O
Molecular Formula
C5H8O
Molecular Formula
C5H8O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.170
Quantitative Estimate Of Drug Likeness（Qed）
0.430