Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37287
- Core Entity Id
- 44651
- Source Entity Count
- 1
- Preferred Name
- Zp-amide e
- Name En
- Pubchem Id
- 101357065
- Smiles Canonical
- CC(C=CC=CC(CCC=CC(=O)NCC(C)(C)O)O)O
- Molecular Formula
- C16H27NO4
- Molecular Weight
- 297.3950
- Inchikey
- CNYYBSBNBMDBMH-AKOXBVEDSA-N
- Inchi
- InChI=1S/C16H27NO4/c1-13(18)8-4-5-9-14(19)10-6-7-11-15(20)17-12-16(2,3)21/h4-5,7-9,11,13-14,18-19,21H,6,10,12H2,1-3H3,(H,17,20)/b8-4+,9-5+,11-7+/t13-,14-/m1/s1
- Isomeric Smiles
- C[C@H](/C=C/C=C/[C@H](CC/C=C/C(=O)NCC(C)(C)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.0640
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.3780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
ZP-amide E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Zp-amide e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Zp-amide e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
zp-amide f;zp-amide e
Role
preferred
Source
TCMBank
Preferred
Yes
Name
胡椒花椒
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HU JIAO HUA JIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Pricklyash
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
zp-amide f;zp-amide e胡椒花椒HU JIAO HUA JIAOJapanese Pricklyash
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN049057
Tcmid
23011
Pub Chem
101357065
Tcmbank
TCMBANKIN033129TCMBANKIN059276
Itcmdb Generated
ITX-INGREDIENT-1E7B05AE04BC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H27NO4/c1-13(18)8-4-5-9-14(19)10-6-7-11-15(20)17-12-16(2,3)21/h4-5,7-9,11,13-14,18-19,21H,6,10,12H2,1-3H3,(H,17,20)/b8-4+,9-5+,11-7+/t13-,14-/m1/s1
Mol Wt
297.395
Smiles
CC(C=CC=CC(CCC=CC(=O)NCC(C)(C)O)O)O
Mol Log P
1.064
In Ch Ikey
CNYYBSBNBMDBMH-AKOXBVEDSA-N
Tcm Name
胡椒花椒
Tcm Name2
HU JIAO HUA JIAO
Mol2 Path
/TCM_database/2007_3d_all/23027.mol2
Reference
3862
Num Hdonors
4
Tcm Name En
Japanese Pricklyash
Drug Likeness
0.378
Num Hacceptors
4
Isomeric Smiles
C[C@H](/C=C/C=C/[C@H](CC/C=C/C(=O)NCC(C)(C)O)O)O
Canonical Smiles
CC(C=CC=CC(CCC=CC(=O)NCC(C)(C)O)O)O
Molecular Formula
C16H27NO4
Molecular Formula
C16H27NO4
Num Rotatable Bonds
9