Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30005
- Core Entity Id
- 36535
- Source Entity Count
- 1
- Preferred Name
- Pinidine
- Name En
- Pubchem Id
- 5281689
- Smiles Canonical
- CC=CC1CCCC(N1)C
- Molecular Formula
- C9H17N
- Molecular Weight
- 139.2420
- Inchikey
- CXQRNYIKPJXYLU-ZHBVTVBMSA-N
- Inchi
- InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1
- Isomeric Smiles
- C/C=C/[C@H]1CCC[C@H](N1)C
- Cas Id
- Ob Score
- Mol Logp
- 2.0931
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pinidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pinidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pinidine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Pinidine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
pinidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-Pinidine
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-Pinidine
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Pinidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,6R)-2-methyl-6-[(1E)-prop-1-en-1-yl]piperidine
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,6R)-2-methyl-6-[(1E)-prop-1-en-1-yl]piperidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,6R)-2-methyl-6-[(E)-prop-1-enyl]piperidine
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,6R)-2-methyl-6-[(E)-prop-1-enyl]piperidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methyl-6-(1-propenyl)piperidine (2R-(2alpha,6alpha(E)))-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methyl-6-(1-propenyl)piperidine (2R-(2alpha,6alpha(E)))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
501-02-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
501-02-0
Role
alias
Source
HERB_v2
Preferred
No
Name
6alpha-Methyl-2alpha-(1-propenyl)piperidine
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS006351326
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:8217
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:8217
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID701241341
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID701241341
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00094148
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00094148
Role
alias
Source
itcmdb_public
Preferred
No
Name
Piperidine, 2-methyl-6-(1-propenyl)-, (2R-(2alpha,6alpha(E)))-
Role
alias
Source
HERB_v2
Preferred
No
Name
Piperidine, 2-methyl-6-(1-propenyl)-, (2R-(2alpha,6alpha(E)))-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Pinidine(-)-Pinidine(2R,6R)-2-methyl-6-[(1E)-prop-1-en-1-yl]piperidine(2R,6R)-2-methyl-6-[(E)-prop-1-enyl]piperidine2-Methyl-6-(1-propenyl)piperidine (2R-(2alpha,6alpha(E)))-501-02-06alpha-Methyl-2alpha-(1-propenyl)piperidineAKOS006351326CHEBI:8217DTXSID701241341NS00094148Piperidine, 2-methyl-6-(1-propenyl)-, (2R-(2alpha,6alpha(E)))-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039967
Tcmid
17376
Sym Map
SMIT17227
Tcm Id
23677
Pub Chem
5281689
Tcmbank
TCMBANKIN005943
Etcm Ingredient
Pinidine
Itcmdb Generated
ITX-INGREDIENT-B95B6AD69A97
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1
Mol Wt
139.242
Smiles
CC=CC1CCCC(N1)C
Mol Log P
2.0931
Version
v1,v2
In Ch Ikey
CXQRNYIKPJXYLU-ZHBVTVBMSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.548
Num Hacceptors
1
Isomeric Smiles
C/C=C/[C@H]1CCC[C@H](N1)C
Canonical Smiles
CC=CC1CCCC(N1)C
Herb Alias Names
(-)-Pinidine501-02-0(2R,6R)-2-methyl-6-[(E)-prop-1-enyl]piperidinePiperidine, 2-methyl-6-(1-propenyl)-, (2R-(2alpha,6alpha(E)))-(2R,6R)-2-methyl-6-[(1E)-prop-1-en-1-yl]piperidineCHEBI:8217DTXSID7012413412-Methyl-6-(1-propenyl)piperidine (2R-(2alpha,6alpha(E)))-NS00094148
Molecular Weight
139.140
Molecular Weight
139.24 g/mol
Molecular Formula
C9H17N
Molecular Formula
C9H17N
Molecular Formula
C9H17N
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.069
Quantitative Estimate Of Drug Likeness（Qed）
0.548