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: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24805
- Core Entity Id
- 30764
- Source Entity Count
- 1
- Preferred Name
- Lof
- Name En
- Pubchem Id
- 25245514
- Smiles Canonical
- C1=CC=C(C=C1)CC(C(=O)O)O
- Molecular Formula
- C9H10O3
- Molecular Weight
- 166.1760
- Inchikey
- VOXXWSYKYCBWHO-QMMMGPOBSA-N
- Inchi
- InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
- Isomeric Smiles
- C1=CC=C(C=C1)C[C@@H](C(=O)O)O
- Cas Id
- 828-01-3
- Ob Score
- 33.2710
- Mol Logp
- 0.6746
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
LOF
Role
preferred
Source
TCMBank
Preferred
Yes
Name
LOF
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lof
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lof
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lof
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S)-2-hydroxy-3-phenyl-propanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-hydroxy-3-phenyl-propionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-hydroxy-3-phenylpropanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-hydroxy-3-phenylpropanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-(-)-3-Phenyllactic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-(−)-3-Phenyllactic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-2-Hydroxy-3-phenylpropanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-Hydroxy-3-phenylpropanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-Hydroxy-3-phenylpropionic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-Hydroxy-3-phenylpropionic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-Hydroxy-3-phenylpropionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-3-phenyllactic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
113069_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
20312-36-1
Role
alias
Source
HERB_v2
Preferred
No
Name
20312-36-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-PHENYL-LACTIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:43065
Role
alias
Source
TCMBank
Preferred
No
Name
L-(-)-3-Phenyllactic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
L-2-HYDROXY-3-PHENYL-PROPIONIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
L-3-Phenyllactic acid
Role
alias
Source
TCMBank
Preferred
No
Name
L-3-phenyllactic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-beta-Phenyllactic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-beta-Phenyllactic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
LLA
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-2-hydroxy-3-phenylpropanoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(r)-2-hydroxy-3-phenylpropanoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2R)-2-hydroxy-3-phenylpropanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-2-Hydroxy-3-phenylpropionic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-3-Phenyllactic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-phenyllactate
Role
alias
Source
itcmdb_public
Preferred
No
Name
7326-19-4
Role
alias
Source
HERB_v2
Preferred
No
Name
D-(+)-3-Phenyllactic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
D-(+)-Phenyllactic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
D-3-phenyllactic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00078062
Role
alias
Source
HERB_v2
Preferred
No
Name
Dl-3-Phenyllactic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(2S)-2-hydroxy-3-phenyl-propanoic acid(2S)-2-hydroxy-3-phenyl-propionic acid(2S)-2-hydroxy-3-phenylpropanoic acid(S)-(-)-3-Phenyllactic acid(S)-(−)-3-Phenyllactic acid(S)-2-Hydroxy-3-phenylpropanoic acid(S)-2-Hydroxy-3-phenylpropionic acid(S)-3-phenyllactic acid113069_ALDRICH20312-36-13-PHENYL-LACTIC ACIDALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDCHEBI:43065L-(-)-3-Phenyllactic acidL-2-HYDROXY-3-PHENYL-PROPIONIC ACIDL-3-Phenyllactic acidL-beta-Phenyllactic acidLLA(R)-2-hydroxy-3-phenylpropanoic acid(2R)-2-hydroxy-3-phenylpropanoic acid(R)-2-Hydroxy-3-phenylpropionic acid(R)-3-Phenyllactic acid(R)-phenyllactate7326-19-4D-(+)-3-Phenyllactic acidD-(+)-Phenyllactic acidD-3-phenyllactic acidMFCD00078062Dl-3-Phenyllactic Acid
Cross References
Trusted external identifiers retained for this final record.
Cas
828-01-3
Herb
HBIN033470HBIN041809
Npass
NPC89455NPC220476
Tcmid
33447
Tcmsp
MOL009294
Sym Map
SMIT10446SMIT23654
Pub Chem
252455144447186433273848
Tcmbank
TCMBANKIN028593TCMBANKIN023484
Etcm Ingredient
LOF
Itcmdb Generated
ITX-INGREDIENT-DDCE03CB9607ITX-INGREDIENT-F47A4DA6136B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
Mol Wt
166.176
Cas Id
828-01-3
Smiles
C1=CC=C(C=C1)CC(C(=O)O)O
Mol Log P
0.6745999999999999
Version
v1,v2
In Ch Ikey
VOXXWSYKYCBWHO-QMMMGPOBSA-N
Ob Score
33.27133.271317633.271318
Suppress
0
Num Hdonors
2
Drug Likeness
0.694
Num Hacceptors
2
Isomeric Smiles
C1=CC=C(C=C1)C[C@@H](C(=O)O)O
Molecule Weight
166.19
Canonical Smiles
C1=CC=C(C=C1)CC(C(=O)O)O
Herb Alias Names
20312-36-1L-(-)-3-Phenyllactic acid(S)-2-Hydroxy-3-phenylpropanoic acid(S)-2-Hydroxy-3-phenylpropionic acidL-3-phenyllactic acid(2S)-2-hydroxy-3-phenylpropanoic acid(S)-(-)-3-Phenyllactic acid(S)-3-phenyllactic acidL(-)-3-Phenyllactic acidL-beta-Phenyllactic acid
Molecular Weight
166.060
Molecular Weight
166.17
Molecule Formula
C9H10O3
Molecular Formula
C9H10O3
Molecular Formula
C9H10O3
Molecular Formula
C9H10O3
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.042
Quantitative Estimate Of Drug Likeness（Qed）
0.626