Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6386
- Core Entity Id
- 10277
- Source Entity Count
- 1
- Preferred Name
- (4s,5s)-4-hydroxy-5-pentyloxolan-2-one
- Name En
- Pubchem Id
- 10464767
- Smiles Canonical
- CCCCCC1C(CC(=O)O1)O
- Molecular Formula
- C9H16O3
- Molecular Weight
- 172.2240
- Inchikey
- NVARDNCEKDHHJR-YUMQZZPRSA-N
- Inchi
- InChI=1S/C9H16O3/c1-2-3-4-5-8-7(10)6-9(11)12-8/h7-8,10H,2-6H2,1H3/t7-,8-/m0/s1
- Isomeric Smiles
- CCCCC[C@H]1[C@H](CC(=O)O1)O
- Cas Id
- Ob Score
- 29.3697
- Mol Logp
- 1.2431
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(4S,5S)-4-Hydroxy-5-Pentyloxolan-2-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(4S,5S)-4-Hydroxy-5-Pentyloxolan-2-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(4S,5S)-4-hydroxy-5-pentyloxolan-2-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4S,5S)-4-hydroxy-5-pentyloxolan-2-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(4s,5s)-4-hydroxy-5-pentyloxolan-2-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(4s,5s)-4-hydroxy-5-pentyloxolan-2-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(4S,5S)-4-hydroxy-5-pentyl-2-tetrahydrofuranone
Role
alias
Source
TCMBank
Preferred
No
Name
(4S,5S)-4-hydroxy-5-pentyl-oxolan-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
(4S,5S)-4-hydroxy-5-pentyl-tetrahydrofuran-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
(4S,5S)-5-amyl-4-hydroxy-tetrahydrofuran-2-one
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4S,5S)-4-hydroxy-5-pentyl-2-tetrahydrofuranone(4S,5S)-4-hydroxy-5-pentyl-oxolan-2-one(4S,5S)-4-hydroxy-5-pentyl-tetrahydrofuran-2-one(4S,5S)-5-amyl-4-hydroxy-tetrahydrofuran-2-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010898
Tcmsp
MOL009049
Sym Map
SMIT10235
Pub Chem
10464767
Tcmbank
TCMBANKIN035866
Etcm Ingredient
(4S,5S)-4-hydroxy-5-pentyloxolan-2-one
Itcmdb Generated
ITX-INGREDIENT-C18039D4C4CB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H16O3/c1-2-3-4-5-8-7(10)6-9(11)12-8/h7-8,10H,2-6H2,1H3/t7-,8-/m0/s1
Mol Wt
172.224
Mol Log P
1.2431
Version
v1,v2
In Ch Ikey
NVARDNCEKDHHJR-YUMQZZPRSA-N
Ob Score
29.36973329.3697331129.37
Suppress
0
Num Hdonors
1
Drug Likeness
0.512
Num Hacceptors
3
Isomeric Smiles
CCCCC[C@H]1[C@H](CC(=O)O1)O
Molecule Weight
172.25
Canonical Smiles
CCCCCC1C(CC(=O)O1)O
Molecular Weight
172.110
Molecular Weight
172.25
Molecular Formula
C9H16O3
Molecular Formula
C9H16O3
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.035
Quantitative Estimate Of Drug Likeness（Qed）
0.512