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
- 37288
- Core Entity Id
- 44652
- Source Entity Count
- 1
- Preferred Name
- Zp-amide f
- Name En
- Pubchem Id
- 101357066
- Smiles Canonical
- CC(C=CC=CC(CCC=CC(=O)NCC(C)(C)O)O)O
- Molecular Formula
- C16H27NO4
- Molecular Weight
- 297.3950
- Inchikey
- CNYYBSBNBMDBMH-GXWJKAMBSA-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 F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Zp-amide f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Zp-amide f
Role
preferred
Source
HERB_v2
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.
胡椒花椒HU JIAO HUA JIAOJapanese Pricklyash
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN049058
Tcmid
23012
Pub Chem
101357066
Tcmbank
TCMBANKIN009988
Itcmdb Generated
ITX-INGREDIENT-3452192C3D66
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
Mol Log P
1.064
In Ch Ikey
CNYYBSBNBMDBMH-GXWJKAMBSA-N
Tcm Name
胡椒花椒
Tcm Name2
HU JIAO HUA JIAO
Mol2 Path
/TCM_database/2007_3d_all/23028.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
Num Rotatable Bonds
9