Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 10Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5204
- Core Entity Id
- 8972
- Source Entity Count
- 1
- Preferred Name
- (3r)-3-hydroxy-5-phenyl-valeric acid
- Name En
- Pubchem Id
- 9815528
- Smiles Canonical
- C1=CC=C(C=C1)CCC(CC(=O)O)O
- Molecular Formula
- C11H14O3
- Molecular Weight
- 194.2300
- Inchikey
- IMMRMPAXYUIDLR-SNVBAGLBSA-N
- Inchi
- InChI=1S/C11H14O3/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)/t10-/m1/s1
- Isomeric Smiles
- C1=CC=C(C=C1)CC[C@H](CC(=O)O)O
- Cas Id
- Ob Score
- 53.4675
- Mol Logp
- 1.4548
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.7460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(3R)-3-Hydroxy-5-Phenyl-Valeric Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(3R)-3-Hydroxy-5-Phenyl-Valeric Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(3R)-3-hydroxy-5-phenyl-valeric acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3R)-3-hydroxy-5-phenyl-valeric acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(3r)-3-hydroxy-5-phenyl-valeric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3r)-3-hydroxy-5-phenyl-valeric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(3R)-3-hydroxy-5-phenyl-pentanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(r)-(-)-3-hydroxy-5-phenylvaleric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(r)-(-)-3-hydroxy-5-phenylvaleric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4745347
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4745347
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3R)-3-hydroxy-5-phenyl-pentanoic acid(r)-(-)-3-hydroxy-5-phenylvaleric acidSCHEMBL4745347
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009507
Tcmsp
MOL006197
Sym Map
SMIT07854
Pub Chem
9815528
Tcmbank
TCMBANKIN000771
Etcm Ingredient
(3R)-3-hydroxy-5-phenyl-valeric acid
Itcmdb Generated
ITX-INGREDIENT-810492946EC0
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H14O3/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)/t10-/m1/s1
Mol Wt
194.23
Mol Log P
1.4548
Version
v1
In Ch Ikey
IMMRMPAXYUIDLR-SNVBAGLBSA-N
Ob Score
53.46751553.4675150153.468
Suppress
0
Num Hdonors
2
Drug Likeness
0.746
Num Hacceptors
2
Isomeric Smiles
C1=CC=C(C=C1)CC[C@H](CC(=O)O)O
Molecule Weight
194.25
Canonical Smiles
C1=CC=C(C=C1)CCC(CC(=O)O)O
Herb Alias Names
SCHEMBL4745347(r)-(-)-3-hydroxy-5-phenylvaleric acid
Molecular Weight
194.090
Molecular Weight
194.25
Molecular Formula
C11H14O3
Molecular Formula
C11H14O3
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.210
Quantitative Estimate Of Drug Likeness（Qed）
0.746