Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 7Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8611
- Core Entity Id
- 12741
- Source Entity Count
- 1
- Preferred Name
- 7z,10z,13z-hexadecatrienoic acid
- Name En
- Pubchem Id
- 5312428
- Smiles Canonical
- CCC=CCC=CCC=CCCCCCC(=O)O
- Molecular Formula
- C16H26O2
- Molecular Weight
- 250.3820
- Inchikey
- KBGYPXOSNDMZRV-PDBXOOCHSA-N
- Inchi
- InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9-
- Isomeric Smiles
- CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O
- Cas Id
- Ob Score
- 22.6530
- Mol Logp
- 4.8803
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 11
- Drug Likeness
- 0.4190
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7Z,10Z,13Z-Hexadecatrienoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7Z,10Z,13Z-Hexadecatrienoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7Z,10Z,13Z-hexadecatrienoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7z,10z,13z-hexadecatrienoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7z,10z,13z-hexadecatrienoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
浮萍
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FU PING
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Duckwood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(7Z,10Z,13Z)-7,10,13-Hexadecatrienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(7Z,10Z,13Z)-7,10,13-Hexadecatrienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(7Z,10Z,13Z)-hexadeca-7,10,13-trienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(7Z,10Z,13Z)-hexadeca-7,10,13-trienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z,Z,Z)-7,10,13-Hexadecatrienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z,Z,Z)-7,10,13-Hexadecatrienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3IGF6441ID
Role
alias
Source
HERB_v2
Preferred
No
Name
3IGF6441ID
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,10,13-Hexadecatrienoic acid, (7Z,10Z,13Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,10,13-Hexadecatrienoic acid, (7Z,10Z,13Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
7561-64-0
Role
alias
Source
HERB_v2
Preferred
No
Name
7561-64-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
7z,10z,13z-hexadecatrienoicacid
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-3IGF6441ID
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-3IGF6441ID
Role
alias
Source
HERB_v2
Preferred
No
Name
all-cis-7,10,13-Hexadecatrienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
all-cis-7,10,13-Hexadecatrienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
roughanic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
roughanic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
浮萍FU PINGCommon Duckwood(7Z,10Z,13Z)-7,10,13-Hexadecatrienoic acid(7Z,10Z,13Z)-hexadeca-7,10,13-trienoic acid(Z,Z,Z)-7,10,13-Hexadecatrienoic acid3IGF6441ID7,10,13-Hexadecatrienoic acid, (7Z,10Z,13Z)-7561-64-07z,10z,13z-hexadecatrienoicacidUNII-3IGF6441IDall-cis-7,10,13-Hexadecatrienoic acidroughanic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013498
Npass
NPC287980
Tcmid
9491
Tcmsp
MOL011768
Sym Map
SMIT12621SMIT15745
Pub Chem
5312428
Tcmbank
TCMBANKIN046877
Etcm Ingredient
7Z,10Z,13Z-hexadecatrienoic acid
Itcmdb Generated
ITX-INGREDIENT-6FA485BF204C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9-
Mol Wt
250.3819999999999
Mol Log P
4.880300000000004
Version
v1,v2
In Ch Ikey
KBGYPXOSNDMZRV-PDBXOOCHSA-N
Ob Score
22.65322.6532229922.653223
Suppress
0
Tcm Name
浮萍
Tcm Name2
FU PING
Mol2 Path
/TCM_database/2007_3d_all/09492.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Common Duckwood
Drug Likeness
0.419
Num Hacceptors
1
Isomeric Smiles
CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O
Molecule Weight
250.42
Canonical Smiles
CCC=CCC=CCC=CCCCCCC(=O)O
Herb Alias Names
roughanic acid7561-64-0all-cis-7,10,13-Hexadecatrienoic acid(7Z,10Z,13Z)-hexadeca-7,10,13-trienoic acid(Z,Z,Z)-7,10,13-Hexadecatrienoic acid3IGF6441ID(7Z,10Z,13Z)-7,10,13-Hexadecatrienoic acidUNII-3IGF6441ID7,10,13-Hexadecatrienoic acid, (7Z,10Z,13Z)-
Molecular Weight
250.190
Molecular Weight
250.38 g/mol
Molecular Formula
C16H26O2
Molecular Formula
C16H26O2
Num Rotatable Bonds
11
Fda Maximum Daily Dose (Fdamdd)
0.886
Quantitative Estimate Of Drug Likeness（Qed）
0.322