Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 11Ingredient: 1Target: 12Links: 23
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21380
- Core Entity Id
- 26951
- Source Entity Count
- 1
- Preferred Name
- Hex
- Name En
- Pubchem Id
- 122540907
- Smiles Canonical
- CCCCCC
- Molecular Formula
- C5H10NO5P
- Molecular Weight
- 195.1110
- Inchikey
- DVZQUMSQEGOYMX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)
- Isomeric Smiles
- C1CC(C(=O)N(C1)O)P(=O)(O)O
- Cas Id
- 92112-69-1
- Ob Score
- 52.4977
- Mol Logp
- -0.4557
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hex
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
HEX
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hex
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hex
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hex
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1-Hydroxy-2-oxopiperidin-3-yl)phosphonic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(1-Hydroxy-2-oxopiperidin-3-yl)phosphonic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2004714-32-1
Role
alias
Source
HERB_v2
Preferred
No
Name
2004714-32-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
64T5RTG4MY
Role
alias
Source
itcmdb_public
Preferred
No
Name
64T5RTG4MY
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040757198
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040757198
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50543109
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50543109
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4647387
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4647387
Role
alias
Source
HERB_v2
Preferred
No
Name
Phosphonic acid, P-(1-hydroxy-2-oxo-3-piperidinyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phosphonic acid, P-(1-hydroxy-2-oxo-3-piperidinyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL18077425
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL18077425
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-64T5RTG4MY
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-64T5RTG4MY
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1-Hydroxy-2-oxopiperidin-3-yl)phosphonic acid2004714-32-164T5RTG4MYAKOS040757198BDBM50543109CHEMBL4647387Phosphonic acid, P-(1-hydroxy-2-oxo-3-piperidinyl)-SCHEMBL18077425UNII-64T5RTG4MY
Cross References
Trusted external identifiers retained for this final record.
Cas
110-54-392112-69-1
Herb
HBIN029234HBIN036887
Npass
NPC150271
Tcmsp
MOL004918
Sym Map
SMIT06757
Tcm Id
2323
Pub Chem
1225409078058
Tcmbank
TCMBANKIN060837
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)
Mol Wt
195.111
Cas Id
92112-69-1110-54-3
Smiles
CCCCCC
Mol Log P
-0.4557
Version
v1,v2
In Ch Ikey
DVZQUMSQEGOYMX-UHFFFAOYSA-N
Ob Score
52.4976665552.49766752.498
Suppress
0
Num Hdonors
3
Drug Likeness
0.388
Num Hacceptors
3
Isomeric Smiles
C1CC(C(=O)N(C1)O)P(=O)(O)O
Molecule Weight
86.2
Canonical Smiles
C1CC(C(=O)N(C1)O)P(=O)(O)O
Herb Alias Names
2004714-32-1(1-Hydroxy-2-oxopiperidin-3-yl)phosphonic acid64T5RTG4MYUNII-64T5RTG4MYPhosphonic acid, P-(1-hydroxy-2-oxo-3-piperidinyl)-CHEMBL4647387SCHEMBL18077425BDBM50543109AKOS040757198
Molecular Weight
86.18 g/mol
Molecular Formula
C6H14
Molecular Formula
C5H10NO5P
Num Rotatable Bonds
1