Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 5Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36472
- Core Entity Id
- 43733
- Source Entity Count
- 1
- Preferred Name
- Vincubine
- Name En
- Pubchem Id
- 13220
- Smiles Canonical
- CC1(CC(=O)CC(N1)(C)C)C
- Molecular Formula
- C9H17NO
- Molecular Weight
- 155.2410
- Inchikey
- JWUXJYZVKZKLTJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
- Isomeric Smiles
- CC1(CC(=O)CC(N1)(C)C)C
- Cas Id
- 72361-44-5
- Ob Score
- 50.9918
- Mol Logp
- 1.4961
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Vincubine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Vincubine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Vincubine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,2,6,6-Tetramethyl-4-oxopiperidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2,6,6-Tetramethyl-4-oxopiperidine
Role
alias
Source
HERB_v2
Preferred
No
Name
2,2,6,6-Tetramethyl-4-piperidinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2,6,6-Tetramethyl-4-piperidinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,2,6,6-Tetramethyl-4-piperidone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2,6,6-Tetramethyl-4-piperidone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,2,6,6-tetramethylpiperidin-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2,6,6-tetramethylpiperidin-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
826-36-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
826-36-8
Role
alias
Source
HERB_v2
Preferred
No
Name
Triacetonamin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Triacetonamin
Role
alias
Source
HERB_v2
Preferred
No
Name
Triacetonamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Triacetonamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Triacetone amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Triacetone amine
Role
alias
Source
HERB_v2
Preferred
No
Name
Vincubina
Role
alias
Source
HERB_v2
Preferred
No
Name
Vincubina
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,2,6,6-Tetramethyl-4-oxopiperidine2,2,6,6-Tetramethyl-4-piperidinone2,2,6,6-Tetramethyl-4-piperidone2,2,6,6-tetramethylpiperidin-4-one826-36-8TriacetonaminTriacetonamineTriacetone amineVincubina
Cross References
Trusted external identifiers retained for this final record.
Cas
72361-44-5
Herb
HBIN047955
Npass
NPC133178
Tcmid
3261334377
Tcmsp
MOL009305
Sym Map
SMIT10455
Pub Chem
13220
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
Mol Wt
155.241
Cas Id
72361-44-5
Mol Log P
1.4961
Version
v1,v2
In Ch Ikey
JWUXJYZVKZKLTJ-UHFFFAOYSA-N
Ob Score
50.9917597650.992
Suppress
0
Num Hdonors
1
Drug Likeness
0.574
Num Hacceptors
2
Isomeric Smiles
CC1(CC(=O)CC(N1)(C)C)C
Molecule Weight
155.27
Canonical Smiles
CC1(CC(=O)CC(N1)(C)C)C
Herb Alias Names
Triacetonamine826-36-82,2,6,6-Tetramethyl-4-piperidone2,2,6,6-tetramethylpiperidin-4-oneTriacetonaminTriacetone amine2,2,6,6-Tetramethyl-4-piperidinoneVincubina2,2,6,6-Tetramethyl-4-oxopiperidine
Molecular Formula
C9H17NO
Num Rotatable Bonds
0