Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35802
- Core Entity Id
- 42982
- Source Entity Count
- 1
- Preferred Name
- Trimethylphosphine oxide
- Name En
- Pubchem Id
- 69609
- Smiles Canonical
- CP(=O)(C)C
- Molecular Formula
- C3H9OP
- Molecular Weight
- 92.0780
- Inchikey
- LRMLWYXJORUTBG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C3H9OP/c1-5(2,3)4/h1-3H3
- Isomeric Smiles
- CP(=O)(C)C
- Cas Id
- 676-96-0
- Ob Score
- 58.9359
- Mol Logp
- 1.2389
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Trimethylphosphine Oxide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Trimethylphosphine Oxide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Trimethylphosphine oxide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Trimethylphosphine oxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Trimethylphosphine oxide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Trimethylphosphine oxide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(CH3)3PO
Role
alias
Source
TCMBank
Preferred
No
Name
(CH3)3PO
Role
alias
Source
HERB_v2
Preferred
No
Name
(CH3)3PO
Role
alias
Source
itcmdb_public
Preferred
No
Name
(DIMETHYLPHOSPHORYL)METHANE
Role
alias
Source
itcmdb_public
Preferred
No
Name
4M39GK79DV
Role
alias
Source
HERB_v2
Preferred
No
Name
4M39GK79DV
Role
alias
Source
itcmdb_public
Preferred
No
Name
676-96-0
Role
alias
Source
HERB_v2
Preferred
No
Name
676-96-0
Role
alias
Source
TCMBank
Preferred
No
Name
676-96-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 211-633-9
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 211-633-9
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 211-633-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C3H9OP/c1-5(2,3)4/h1-3H
Role
alias
Source
TCMBank
Preferred
No
Name
Me3PO
Role
alias
Source
itcmdb_public
Preferred
No
Name
Me3PO
Role
alias
Source
TCMBank
Preferred
No
Name
Me3PO
Role
alias
Source
HERB_v2
Preferred
No
Name
Phosphine oxide, trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phosphine oxide, trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
ZINC01845838
Role
alias
Source
TCMBank
Preferred
No
Name
dimethylphosphorylmethane
Role
alias
Source
HERB_v2
Preferred
No
Name
dimethylphosphorylmethane
Role
alias
Source
TCMBank
Preferred
No
Name
hydroxy-trimethylphosphanium
Role
alias
Source
TCMBank
Preferred
No
Name
hydroxy-trimethylphosphonium
Role
alias
Source
TCMBank
Preferred
No
Name
trimethylphosphineoxide
Role
alias
Source
HERB_v2
Preferred
No
Name
trimethylphosphineoxide
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(CH3)3PO(DIMETHYLPHOSPHORYL)METHANE4M39GK79DV676-96-0EINECS 211-633-9InChI=1/C3H9OP/c1-5(2,3)4/h1-3HMe3POPhosphine oxide, trimethyl-ZINC01845838dimethylphosphorylmethanehydroxy-trimethylphosphaniumhydroxy-trimethylphosphoniumtrimethylphosphineoxide
Cross References
Trusted external identifiers retained for this final record.
Cas
676-96-0
Herb
HBIN047130
Tcmsp
MOL012900
Sym Map
SMIT13624
Pub Chem
69609
Tcmbank
TCMBANKIN006807
Etcm Ingredient
Trimethylphosphine oxide
Itcmdb Generated
ITX-INGREDIENT-095B1F7C99FD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C3H9OP/c1-5(2,3)4/h1-3H3
Mol Wt
92.078
Cas Id
676-96-0
Smiles
CP(=O)(C)C
Mol Log P
1.2389
Version
v1,v2
In Ch Ikey
LRMLWYXJORUTBG-UHFFFAOYSA-N
Ob Score
58.9359108658.93591158.936
Suppress
0
Num Hdonors
0
Drug Likeness
0.411
Num Hacceptors
1
Isomeric Smiles
CP(=O)(C)C
Molecule Weight
92.09
Canonical Smiles
CP(=O)(C)C
Herb Alias Names
676-96-0dimethylphosphorylmethanetrimethylphosphineoxidePhosphine oxide, trimethyl-(CH3)3PO(DIMETHYLPHOSPHORYL)METHANE4M39GK79DVMe3POEINECS 211-633-9
Molecular Weight
92.040
Molecular Weight
92.08
Molecular Formula
C3H9OP
Molecular Formula
C3H9OP
Molecular Formula
C3H9OP
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.167
Quantitative Estimate Of Drug Likeness（Qed）
0.411