Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37785
- Core Entity Id
- 58989
- Source Entity Count
- 1
- Preferred Name
- 1-[1-oxo-3(3,4-methylenedioxyphenyl)propyl]piperidine
- Name En
- Pubchem Id
- 9965088
- Smiles Canonical
- C1CCN(CC1)C(=O)CCC2=CC3=C(C=C2)OCO3
- Molecular Formula
- C15H19NO3
- Molecular Weight
- 261.3210
- Inchikey
- XCBIVSYMPNVWRX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H19NO3/c17-15(16-8-2-1-3-9-16)7-5-12-4-6-13-14(10-12)19-11-18-13/h4,6,10H,1-3,5,7-9,11H2
- Isomeric Smiles
- C1CCN(CC1)C(=O)CCC2=CC3=C(C=C2)OCO3
- Cas Id
- Ob Score
- Mol Logp
- 2.3604
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-[1-Oxo-3(3,4-Methylenedioxyphenyl)Propyl]Piperidine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1-[1-Oxo-3(3,4-Methylenedioxyphenyl)Propyl]Piperidine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-[1-Oxo-3(3,4-methylenedioxyphenyl)propyl]piperidine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-[1-Oxo-3(3,4-methylenedioxyphenyl)propyl]piperidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-[1-oxo-3(3,4-methylenedioxyphenyl)propyl]piperidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-[1-oxo-3(3,4-methylenedioxyphenyl)propyl]piperidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
胡椒
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HU JIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Black Pepper
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpropan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpropan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-benzo-1,3-dioxol-5-ylpropionic Acid Piperidide
Role
alias
Source
HERB_v2
Preferred
No
Name
3-benzo-1,3-dioxol-5-ylpropionic Acid Piperidide
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS005249111
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS005249111
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2436900
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2436900
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9425973
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL9425973
Role
alias
Source
HERB_v2
Preferred
No
Name
XCBIVSYMPNVWRX-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
XCBIVSYMPNVWRX-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
Z192601610
Role
alias
Source
HERB_v2
Preferred
No
Name
Z192601610
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
胡椒HU JIAOBlack Pepper3-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpropan-1-one3-benzo-1,3-dioxol-5-ylpropionic Acid PiperidideAKOS005249111CHEMBL2436900SCHEMBL9425973XCBIVSYMPNVWRX-UHFFFAOYSA-NZ192601610
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000490
Tcmid
16382
Sym Map
SMIT17050
Pub Chem
9965088
Tcmbank
TCMBANKIN041429
Etcm Ingredient
1-[1-Oxo-3(3,4-methylenedioxyphenyl)propyl]piperidine
Itcmdb Generated
ITX-INGREDIENT-5628C8297A16
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H19NO3/c17-15(16-8-2-1-3-9-16)7-5-12-4-6-13-14(10-12)19-11-18-13/h4,6,10H,1-3,5,7-9,11H2
Mol Wt
261.321
Mol Log P
2.3604
Version
v1,v2
In Ch Ikey
XCBIVSYMPNVWRX-UHFFFAOYSA-N
Suppress
0
Tcm Name
胡椒
Tcm Name2
HU JIAO
Mol2 Path
/TCM_database/2007_3d_all/16393.mol2
Reference
4753
Num Hdonors
0
Tcm Name En
Black Pepper
Drug Likeness
0.838
Num Hacceptors
3
Isomeric Smiles
C1CCN(CC1)C(=O)CCC2=CC3=C(C=C2)OCO3
Canonical Smiles
C1CCN(CC1)C(=O)CCC2=CC3=C(C=C2)OCO3
Herb Alias Names
3-benzo-1,3-dioxol-5-ylpropionic Acid PiperidideSCHEMBL9425973CHEMBL2436900XCBIVSYMPNVWRX-UHFFFAOYSA-NAKOS005249111Z1926016103-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpropan-1-one
Molecular Weight
261.140
Molecular Formula
C15H19NO3
Molecular Formula
C15H19NO3
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.661
Quantitative Estimate Of Drug Likeness（Qed）
0.838