Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 2Links: 5
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17205
- Core Entity Id
- 22294
- Source Entity Count
- 1
- Preferred Name
- Dihydropiperlonguminine
- Name En
- Pubchem Id
- 12682184
- Smiles Canonical
- CC(C)CNC(=O)C=CCCC1=CC2=C(C=C1)OCO2
- Molecular Formula
- C16H21NO3
- Molecular Weight
- 275.3480
- Inchikey
- CSGDXLXTJVRNEA-GQCTYLIASA-N
- Inchi
- InChI=1S/C16H21NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,17,18)/b6-4+
- Isomeric Smiles
- CC(C)CNC(=O)/C=C/CCC1=CC2=C(C=C1)OCO2
- Cas Id
- 23512-53-0
- Ob Score
- 26.6649
- Mol Logp
- 2.6763
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.8120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dihydropiperlonguminine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dihydropiperlonguminine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dihydropiperlonguminine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-5-(3,4-Methylenedioxyphenyl)-2-pentenoylisobutylamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-5-(3,4-Methylenedioxyphenyl)-2-pentenoylisobutylamide
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-5-(benzo[d][1,3]dioxol-5-yl)-N-isobutylpent-2-enamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-5-(benzo[d][1,3]dioxol-5-yl)-N-isobutylpent-2-enamide
Role
alias
Source
HERB_v2
Preferred
No
Name
.delta.,.alpha.,.beta.-Dihydropiperlonguminine
Role
alias
Source
HERB_v2
Preferred
No
Name
.delta.,.alpha.,.beta.-Dihydropiperlonguminine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Pentenamide, 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Pentenamide, 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
23512-53-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
23512-53-0
Role
alias
Source
HERB_v2
Preferred
No
Name
4,5-Dihydropiperic acid isobutylamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,5-Dihydropiperic acid isobutylamide
Role
alias
Source
HERB_v2
Preferred
No
Name
4,5-Dihydropiperlonguminine
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,5-Dihydropiperlonguminine
Role
alias
Source
HERB_v2
Preferred
No
Name
Da,b-Dihydropiperlonguminine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Da,b-Dihydropiperlonguminine
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6-Dihydropiperlonguminine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,6-dihydropiperlonguminine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4,5-dihydropiperlonguminine
Role
alias
Source
TCMBank
Preferred
No
Name
dihydropiperlonguminine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide(E)-5-(3,4-Methylenedioxyphenyl)-2-pentenoylisobutylamide(E)-5-(benzo[d][1,3]dioxol-5-yl)-N-isobutylpent-2-enamide.delta.,.alpha.,.beta.-Dihydropiperlonguminine2-Pentenamide, 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)-23512-53-04,5-Dihydropiperic acid isobutylamide4,5-DihydropiperlonguminineDa,b-Dihydropiperlonguminine5,6-Dihydropiperlonguminine
Cross References
Trusted external identifiers retained for this final record.
Cas
23512-53-0
Herb
HBIN023964HBIN010010HBIN011134
Npass
NPC157740
Tcmid
230415694
Tcmsp
MOL001611
Sym Map
SMIT03997
Tcm Id
193447918
Pub Chem
12682184
Tcmbank
TCMBANKIN028559TCMBANKIN059270
Etcm Ingredient
5,6-Dihydropiperlonguminine
Itcmdb Generated
ITX-INGREDIENT-0C85C82C0B13ITX-INGREDIENT-66416677CAB2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H21NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,17,18)/b6-4+
Mol Wt
275.348
Cas Id
23512-53-0
Smiles
CC(C)CNC(=O)C=CCCC1=CC2=C(C=C1)OCO2
Mol Log P
2.676300000000001
Version
v1,v2
In Ch Ikey
CSGDXLXTJVRNEA-GQCTYLIASA-N
Ob Score
26.664902526.665
Suppress
0
Tcm Name
瘤突胡椒
Tcm Name2
LIU TU HU JIAO
Mol2 Path
/TCM_database/2007_3d_all/05695.mol2
Reference
5102
Num Hdonors
1
Tcm Name En
Tuberculate Pepper*
Drug Likeness
0.812
Num Hacceptors
3
Isomeric Smiles
CC(C)CNC(=O)/C=C/CCC1=CC2=C(C=C1)OCO2
Molecule Weight
275.38
Canonical Smiles
CC(C)CNC(=O)C=CCCC1=CC2=C(C=C1)OCO2
Herb Alias Names
4,5-Dihydropiperlonguminine23512-53-02-Pentenamide, 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)-(E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamideDa,b-Dihydropiperlonguminine4,5-Dihydropiperic acid isobutylamide(E)-5-(benzo[d][1,3]dioxol-5-yl)-N-isobutylpent-2-enamide.delta.,.alpha.,.beta.-Dihydropiperlonguminine(E)-5-(3,4-Methylenedioxyphenyl)-2-pentenoylisobutylamide
Molecular Weight
275.150
Molecular Weight
275.34 g/mol
Molecular Formula
C16H21NO3
Molecular Formula
C16H21NO3
Molecular Formula
C16H21NO3
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.652
Quantitative Estimate Of Drug Likeness（Qed）
0.812