Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 24Links: 27
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39829
- Core Entity Id
- 76850
- Source Entity Count
- 1
- Preferred Name
- (1r)-2-[(2s)-1-methyl-2-piperidyl]-1-phenyl-ethanol
- Name En
- Pubchem Id
- 11106868
- Smiles Canonical
- CN1CCCCC1CC(C2=CC=CC=C2)O
- Molecular Formula
- C14H21NO
- Molecular Weight
- 219.3280
- Inchikey
- GOWRYACIDZSIHI-UONOGXRCSA-N
- Inchi
- InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14+/m0/s1
- Isomeric Smiles
- CN1CCCC[C@H]1C[C@H](C2=CC=CC=C2)O
- Cas Id
- Ob Score
- 29.0529
- Mol Logp
- 2.5944
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1R)-2-[(2S)-1-Methyl-2-Piperidyl]-1-Phenyl-Ethanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(1R)-2-[(2S)-1-Methyl-2-Piperidyl]-1-Phenyl-Ethanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(1R)-2-[(2S)-1-methyl-2-piperidyl]-1-phenyl-ethanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1R)-2-[(2S)-1-methyl-2-piperidyl]-1-phenyl-ethanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1r)-2-[(2s)-1-methyl-2-piperidyl]-1-phenyl-ethanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1r)-2-[(2s)-1-methyl-2-piperidyl]-1-phenyl-ethanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1R)-2-[(2S)-1-methyl-2-piperidinyl]-1-phenylethanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R)-2-[(2S)-1-methylpiperidin-2-yl]-1-phenyl-ethanol
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL23415178
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL23415178
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Sedamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(-)-sedamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1S)-2-[(2S)-1-methyl-2-piperidinyl]-1-phenylethanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S)-2-[(2S)-1-methyl-2-piperidyl]-1-phenyl-ethanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S)-2-[(2S)-1-methylpiperidin-2-yl]-1-phenylethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
497-88-1
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L9D65
Role
alias
Source
HERB_v2
Preferred
No
Name
C10171
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:116
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30331894
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3309738
Role
alias
Source
HERB_v2
Preferred
No
Name
Sedamine
Role
alias
Source
HERB_v2
Preferred
No
Name
SureCN3309738
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1R)-2-[(2S)-1-methyl-2-piperidinyl]-1-phenylethanol(1R)-2-[(2S)-1-methylpiperidin-2-yl]-1-phenyl-ethanolSCHEMBL23415178(-)-Sedamine(1S)-2-[(2S)-1-methyl-2-piperidinyl]-1-phenylethanol(1S)-2-[(2S)-1-methyl-2-piperidyl]-1-phenyl-ethanol(1S)-2-[(2S)-1-methylpiperidin-2-yl]-1-phenylethanol497-88-1AC1L9D65C10171CHEBI:116DTXSID30331894SCHEMBL3309738SedamineSureCN3309738
Cross References
Trusted external identifiers retained for this final record.
Cas
497-88-1
Herb
HBIN003025HBIN043603
Tcmid
19632
Tcmsp
MOL006089MOL002074
Sym Map
SMIT07765SMIT04383
Pub Chem
11106868442657
Tcmbank
TCMBANKIN021664TCMBANKIN012932TCMBANKIN061373
Etcm Ingredient
(1R)-2-[(2S)-1-methyl-2-piperidyl]-1-phenyl-ethanol
Itcmdb Generated
ITX-INGREDIENT-092FF157CE09
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14+/m0/s1
Mol Wt
219.328
Smiles
CN1CCCCC1CC(C2=CC=CC=C2)O
Mol Log P
2.594400000000002
Version
v1,v2
In Ch Ikey
GOWRYACIDZSIHI-UONOGXRCSA-N
Ob Score
29.05293429.0529341729.053
Suppress
0
Num Hdonors
1
Drug Likeness
0.844
Num Hacceptors
2
Isomeric Smiles
CN1CCCC[C@H]1C[C@H](C2=CC=CC=C2)O
Molecule Weight
219.36
Canonical Smiles
CN1CCCCC1CC(C2=CC=CC=C2)O
Herb Alias Names
SCHEMBL23415178
Molecular Weight
219.160
Molecular Weight
219.36
Molecular Formula
C14H21NO
Molecular Formula
C14H21NO
Molecular Formula
C14H21NO
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.816
Quantitative Estimate Of Drug Likeness（Qed）
0.844