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
- 37285
- Core Entity Id
- 44649
- Source Entity Count
- 1
- Preferred Name
- Zp-amide c
- Name En
- Pubchem Id
- 9839194
- Smiles Canonical
- CC(C(C=CC=CCCC=CC(=O)NCC(C)(C)O)O)O
- Molecular Formula
- C16H27NO4
- Molecular Weight
- 297.3950
- Inchikey
- XZFVWEROJZOTMT-IJERFPBKSA-N
- Inchi
- InChI=1S/C16H27NO4/c1-13(18)14(19)10-8-6-4-5-7-9-11-15(20)17-12-16(2,3)21/h4,6,8-11,13-14,18-19,21H,5,7,12H2,1-3H3,(H,17,20)/b6-4-,10-8+,11-9+
- Isomeric Smiles
- CC(C(/C=C/C=C\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
- 0.2910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
ZP-amide C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Zp-amide c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Zp-amide c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
zp-amide d;zp-amide c
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
Name
412316-38-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
412316-38-2
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040734941
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040734941
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-8437
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-8437
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL14802132
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL14802132
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
zp-amide d;zp-amide c胡椒花椒HU JIAO HUA JIAOJapanese Pricklyash412316-38-2AKOS040734941FS-8437SCHEMBL14802132
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN049055
Npass
NPC235311
Tcmid
23009
Pub Chem
9839194
Tcmbank
TCMBANKIN010219TCMBANKIN059071
Itcmdb Generated
ITX-INGREDIENT-77BA4A2955B6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H27NO4/c1-13(18)14(19)10-8-6-4-5-7-9-11-15(20)17-12-16(2,3)21/h4,6,8-11,13-14,18-19,21H,5,7,12H2,1-3H3,(H,17,20)/b6-4-,10-8+,11-9+
Mol Wt
297.395
Smiles
CC(C(C=CC=CCCC=CC(=O)NCC(C)(C)O)O)O
Mol Log P
1.064
In Ch Ikey
XZFVWEROJZOTMT-IJERFPBKSA-N
Tcm Name
胡椒花椒
Tcm Name2
HU JIAO HUA JIAO
Mol2 Path
/TCM_database/2007_3d_all/23025.mol2
Reference
3862
Num Hdonors
4
Tcm Name En
Japanese Pricklyash
Drug Likeness
0.291
Num Hacceptors
4
Isomeric Smiles
CC(C(/C=C/C=C\CC/C=C/C(=O)NCC(C)(C)O)O)O
Canonical Smiles
CC(C(C=CC=CCCC=CC(=O)NCC(C)(C)O)O)O
Herb Alias Names
412316-38-2SCHEMBL14802132AKOS040734941FS-8437
Molecular Formula
C16H27NO4
Molecular Formula
C16H27NO4
Num Rotatable Bonds
9