Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30102
- Core Entity Id
- 36644
- Source Entity Count
- 1
- Preferred Name
- Piriferine
- Name En
- Pubchem Id
- 6443271
- Smiles Canonical
- CC(C)C(=O)NC1CCCN1C(=O)C=CC2=CC=CC=C2
- Molecular Formula
- C17H22N2O2
- Molecular Weight
- 286.3750
- Inchikey
- MHTFRPKYOLEGDG-ZHACJKMWSA-N
- Inchi
- InChI=1S/C17H22N2O2/c1-13(2)17(21)18-15-9-6-12-19(15)16(20)11-10-14-7-4-3-5-8-14/h3-5,7-8,10-11,13,15H,6,9,12H2,1-2H3,(H,18,21)/b11-10+
- Isomeric Smiles
- CC(C)C(=O)NC1CCCN1C(=O)/C=C/C2=CC=CC=C2
- Cas Id
- Ob Score
- Mol Logp
- 2.4205
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Piriferine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Piriferine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Piriferine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Piriferine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
梨米仔兰
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LI MI ZI LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Pear Aglaia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
113689-36-4
Role
alias
Source
HERB_v2
Preferred
No
Name
113689-36-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propanamide, 2-methyl-N-(1-(1-oxo-3-phenyl-2-propenyl)-2-pyrrolidinyl)-, (E)-(+)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Propanamide, 2-methyl-N-(1-(1-oxo-3-phenyl-2-propenyl)-2-pyrrolidinyl)-, (E)-(+)-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
梨米仔兰LI MI ZI LANPear Aglaia*113689-36-4Propanamide, 2-methyl-N-(1-(1-oxo-3-phenyl-2-propenyl)-2-pyrrolidinyl)-, (E)-(+)-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040111
Npass
NPC143516
Tcmid
17461
Pub Chem
64432719548036
Tcmbank
TCMBANKIN040064
Etcm Ingredient
Piriferine
Itcmdb Generated
ITX-INGREDIENT-3E487F910BB8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H22N2O2/c1-13(2)17(21)18-15-9-6-12-19(15)16(20)11-10-14-7-4-3-5-8-14/h3-5,7-8,10-11,13,15H,6,9,12H2,1-2H3,(H,18,21)/b11-10+
Mol Wt
286.375
Mol Log P
2.420500000000001
In Ch Ikey
MHTFRPKYOLEGDG-ZHACJKMWSA-N
Tcm Name
梨米仔兰
Tcm Name2
LI MI ZI LAN
Mol2 Path
/TCM_database/2007_3d_all/17475.mol2
Reference
3031, 3628
Num Hdonors
1
Tcm Name En
Pear Aglaia*
Drug Likeness
0.864
Num Hacceptors
2
Isomeric Smiles
CC(C)C(=O)NC1CCCN1C(=O)/C=C/C2=CC=CC=C2
Canonical Smiles
CC(C)C(=O)NC1CCCN1C(=O)C=CC2=CC=CC=C2
Herb Alias Names
113689-36-4Propanamide, 2-methyl-N-(1-(1-oxo-3-phenyl-2-propenyl)-2-pyrrolidinyl)-, (E)-(+)-
Molecular Weight
286.170
Molecular Weight
286.37 g/mol
Molecular Formula
C17H22N2O2
Molecular Formula
C17H22N2O2
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.123
Quantitative Estimate Of Drug Likeness（Qed）
0.864