Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 3Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25929
- Core Entity Id
- 32013
- Source Entity Count
- 1
- Preferred Name
- Methionol
- Name En
- Pubchem Id
- 10448
- Smiles Canonical
- CSCCCO
- Molecular Formula
- C4H10OS
- Molecular Weight
- 106.1900
- Inchikey
- CZUGFKJYCPYHHV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
- Isomeric Smiles
- CSCCCO
- Cas Id
- 505-10-2
- Ob Score
- 67.2946
- Mol Logp
- 0.7318
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methionol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Methionol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Methionol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Methionol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Methionol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Methionol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-Propanol, 3-(methylthio)-
Role
alias
Source
TCMBank
Preferred
No
Name
1-Propanol, 3-(methylthio)-
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Propanol, 3-(methylthio)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(METHYLTHIO)PROPANOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(METHYLTHIO)PROPANOL
Role
alias
Source
TCMBank
Preferred
No
Name
3-(Methylthio)-1-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
3-(Methylthio)-1-propanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(Methylthio)-1-propanol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(Methylthio)propyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
3-(methylsulfanyl)propan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(methylsulfanyl)propan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(methylthio)propan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
3-(methylthio)propan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(methylthio)propan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hydroxypropyl methyl sulfide
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxypropyl methyl sulfide
Role
alias
Source
TCMBank
Preferred
No
Name
3-Hydroxypropyl methyl sulfide
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methylmercapto-1-propanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methylmercapto-1-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
3-Methylmercapto-1-propanol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methylsulfanylpropan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
3-methylthiopropanol
Role
alias
Source
HERB_v2
Preferred
No
Name
318396_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
505-10-2
Role
alias
Source
HERB_v2
Preferred
No
Name
505-10-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
505-10-2
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-17420
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 208-004-6
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 3415
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl 3-hydroxypropylsulfide
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 2859
Role
alias
Source
TCMBank
Preferred
No
Name
W341509_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC01641187
Role
alias
Source
TCMBank
Preferred
No
Name
gamma-Hydroxypropyl methyl sulfide
Role
alias
Source
TCMBank
Preferred
No
Name
gamma-Methylmercaptopropyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
methionol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Propanol, 3-(methylthio)-3-(METHYLTHIO)PROPANOL3-(Methylthio)-1-propanol3-(Methylthio)propyl alcohol3-(methylsulfanyl)propan-1-ol3-(methylthio)propan-1-ol3-Hydroxypropyl methyl sulfide3-Methylmercapto-1-propanol3-methylsulfanylpropan-1-ol3-methylthiopropanol318396_ALDRICH505-10-2AI3-17420EINECS 208-004-6FEMA No. 3415InChI=1/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1HMethyl 3-hydroxypropylsulfideNSC 2859W341509_ALDRICHZINC01641187gamma-Hydroxypropyl methyl sulfidegamma-Methylmercaptopropyl alcohol
Cross References
Trusted external identifiers retained for this final record.
Cas
505-10-2
Herb
HBIN034829
Npass
NPC261397
Tcmid
34695
Tcmsp
MOL010293
Sym Map
SMIT11352
Pub Chem
10448
Tcmbank
TCMBANKIN009227
Etcm Ingredient
Methionol
Itcmdb Generated
ITX-INGREDIENT-EDF6D177A486
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
Mol Wt
106.19
Cas Id
505-10-2
Smiles
CSCCCO
Mol Log P
0.7318
Version
v1,v2
In Ch Ikey
CZUGFKJYCPYHHV-UHFFFAOYSA-N
Ob Score
67.2945665367.29456767.295
Suppress
0
Num Hdonors
1
Drug Likeness
0.535
Num Hacceptors
2
Isomeric Smiles
CSCCCO
Molecule Weight
106.21
Canonical Smiles
CSCCCO
Herb Alias Names
505-10-23-methylthiopropanol3-(Methylthio)-1-propanol3-(METHYLTHIO)PROPANOL3-(methylthio)propan-1-ol3-Hydroxypropyl methyl sulfide1-Propanol, 3-(methylthio)-3-(methylsulfanyl)propan-1-ol3-Methylmercapto-1-propanol
Molecular Weight
106.050
Molecular Weight
106.19
Molecular Formula
C4H10OS
Molecular Formula
C4H10OS
Molecular Formula
C4H10OS
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.016
Quantitative Estimate Of Drug Likeness（Qed）
0.535