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: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 229
- Core Entity Id
- 2285
- Source Entity Count
- 1
- Preferred Name
- 2-(2-hydroxy-4-methylphenyl)propane-1,2,3-triol
- Name En
- Pubchem Id
- 14543617
- Smiles Canonical
- CC1=CC(=C(C=C1)C(CO)(CO)O)O
- Molecular Formula
- C10H14O4
- Molecular Weight
- 198.2180
- Inchikey
- GSLQFCAUUPKMEV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H14O4/c1-7-2-3-8(9(13)4-7)10(14,5-11)6-12/h2-4,11-14H,5-6H2,1H3
- Isomeric Smiles
- CC1=CC(=C(C=C1)C(CO)(CO)O)O
- Cas Id
- Ob Score
- 56.6918
- Mol Logp
- -0.1272
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-(2-Hydroxy-4-Methylphenyl)Propane-1,2,3-Triol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-(2-Hydroxy-4-Methylphenyl)Propane-1,2,3-Triol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-(2-hydroxy-4-methylphenyl)propane-1,2,3-triol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-(2-hydroxy-4-methylphenyl)propane-1,2,3-triol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(2-hydroxy-4-methylphenyl)propane-1,2,3-triol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-(2-hydroxy-4-methylphenyl)propane-1,2,3-triol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-(2-hydroxy-4-methyl-phenyl)propane-1,2,3-triol
Role
alias
Source
TCMBank
Preferred
No
Name
8,9,10-Trihydroxythymol
Role
alias
Source
HERB_v2
Preferred
No
Name
8,9,10-Trihydroxythymol
Role
alias
Source
itcmdb_public
Preferred
No
Name
93236-15-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
93236-15-8
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_001733
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_001733
Role
alias
Source
TCMBank
Preferred
No
Name
ACon1_001733
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040734078
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040734078
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRD-K18533836-001-01-3
Role
alias
Source
HERB_v2
Preferred
No
Name
BRD-K18533836-001-01-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00180195-01
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00180195-01
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(2-hydroxy-4-methyl-phenyl)propane-1,2,3-triol8,9,10-Trihydroxythymol93236-15-8ACon1_001733AKOS040734078BRD-K18533836-001-01-3NCGC00180195-01
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003736
Tcmsp
MOL011715
Sym Map
SMIT12584
Pub Chem
14543617
Tcmbank
TCMBANKIN008058
Etcm Ingredient
2-(2-hydroxy-4-methylphenyl)propane-1,2,3-triol
Itcmdb Generated
ITX-INGREDIENT-0038C2995171
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H14O4/c1-7-2-3-8(9(13)4-7)10(14,5-11)6-12/h2-4,11-14H,5-6H2,1H3
Mol Wt
198.218
Smiles
CC1=CC(=C(C=C1)C(CO)(CO)O)O
Mol Log P
-0.1271800000000003
Version
v1,v2
In Ch Ikey
GSLQFCAUUPKMEV-UHFFFAOYSA-N
Ob Score
56.6917678456.69176856.692
Suppress
0
Num Hdonors
4
Drug Likeness
0.545
Num Hacceptors
4
Isomeric Smiles
CC1=CC(=C(C=C1)C(CO)(CO)O)O
Molecule Weight
198.24
Canonical Smiles
CC1=CC(=C(C=C1)C(CO)(CO)O)O
Herb Alias Names
8,9,10-Trihydroxythymol93236-15-8ACon1_001733AKOS040734078NCGC00180195-01BRD-K18533836-001-01-3
Molecular Weight
198.090
Molecular Weight
198.22 g/mol
Molecular Formula
C10H14O4
Molecular Formula
C10H14O4
Molecular Formula
C10H14O4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.022
Quantitative Estimate Of Drug Likeness（Qed）
0.545