Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6385
- Core Entity Id
- 10276
- Source Entity Count
- 1
- Preferred Name
- (4s,5r)-4-hydroxy-5-hydroxymethyl-furan-2-one
- Name En
- Pubchem Id
- 11007861
- Smiles Canonical
- CC1CC(=O)OC1C
- Molecular Formula
- C6H10O2
- Molecular Weight
- 114.1440
- Inchikey
- PXIPZIPSDBXFQR-CRCLSJGQSA-N
- Inchi
- InChI=1S/C6H10O2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3/t4-,5+/m0/s1
- Isomeric Smiles
- C[C@H]1CC(=O)O[C@@H]1C
- Cas Id
- Ob Score
- Mol Logp
- 0.9579
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(4S,5R)-4-hydroxy-5-hydroxymethyl-furan-2-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4s,5r)-4-hydroxy-5-hydroxymethyl-furan-2-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(4s,5r)-4-hydroxy-5-hydroxymethyl-furan-2-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2(3H)-Furanone, dihydro-4,5-dimethyl-, (4S,5R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2(3H)-Furanone, dihydro-4,5-dimethyl-, (4S,5R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
90026-46-3
Role
alias
Source
HERB_v2
Preferred
No
Name
90026-46-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20451555
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20451555
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL14420270
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL14420270
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2(3H)-Furanone, dihydro-4,5-dimethyl-, (4S,5R)-90026-46-3DTXSID20451555SCHEMBL14420270
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010896
Tcmid
42832
Pub Chem
11007861
Tcmbank
TCMBANKIN017197
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C6H10O2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3/t4-,5+/m0/s1
Mol Wt
114.144
Smiles
CC1CC(=O)OC1C
Mol Log P
0.9579
In Ch Ikey
PXIPZIPSDBXFQR-CRCLSJGQSA-N
Num Hdonors
0
Drug Likeness
0.438
Num Hacceptors
2
Isomeric Smiles
C[C@H]1CC(=O)O[C@@H]1C
Canonical Smiles
CC1CC(=O)OC1C
Herb Alias Names
2(3H)-Furanone, dihydro-4,5-dimethyl-, (4S,5R)-90026-46-3SCHEMBL14420270DTXSID20451555
Molecular Formula
C6H10O2
Molecular Formula
C6H10O2
Num Rotatable Bonds
0