Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 3Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8632
- Core Entity Id
- 12764
- Source Entity Count
- 1
- Preferred Name
- (7z,10z)-hexadeca-7,10-dienoic acid
- Name En
- Pubchem Id
- 13932172
- Smiles Canonical
- CCCCCC=CCC=CCCCCCC(=O)O
- Molecular Formula
- C16H28O2
- Molecular Weight
- 252.3980
- Inchikey
- WPJGPAAPSBVXNU-HZJYTTRNSA-N
- Inchi
- InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,9-10H,2-5,8,11-15H2,1H3,(H,17,18)/b7-6-,10-9-
- Isomeric Smiles
- CCCCC/C=C\C/C=C\CCCCCC(=O)O
- Cas Id
- 21964-51-2
- Ob Score
- 22.3908
- Mol Logp
- 5.1043
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.3870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(7Z,10Z)-Hexadeca-7,10-Dienoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(7Z,10Z)-Hexadeca-7,10-Dienoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(7Z,10Z)-hexadeca-7,10-dienoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(7Z,10Z)-hexadeca-7,10-dienoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(7z,10z)-hexadeca-7,10-dienoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(7z,10z)-hexadeca-7,10-dienoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(7Z,10Z)-7,10-Hexadecadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(7Z,10Z)-7,10-Hexadecadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z,Z)-7,10-Hexadecadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z,Z)-7,10-Hexadecadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z,Z)-hexadeca-7,10-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z,Z)-hexadeca-7,10-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
28290-73-5
Role
alias
Source
HERB_v2
Preferred
No
Name
28290-73-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-cis,10-cis-hexadecadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
7-cis,10-cis-hexadecadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
7Z,10Z-hexadecadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
7Z,10Z-hexadecadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
C16:2n-6,9
Role
alias
Source
HERB_v2
Preferred
No
Name
C16:2n-6,9
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:86147
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:86147
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(7Z,10Z)-7,10-Hexadecadienoic acid(Z,Z)-7,10-Hexadecadienoic acid(Z,Z)-hexadeca-7,10-dienoic acid28290-73-57-cis,10-cis-hexadecadienoic acid7Z,10Z-hexadecadienoic acidC16:2n-6,9CHEBI:86147
Cross References
Trusted external identifiers retained for this final record.
Cas
21964-51-2
Herb
HBIN013499
Tcmsp
MOL011065
Sym Map
SMIT12019
Pub Chem
13932172
Tcmbank
TCMBANKIN024617
Etcm Ingredient
(7Z,10Z)-hexadeca-7,10-dienoic acid
Itcmdb Generated
ITX-INGREDIENT-4D4EBB1FBD3F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,9-10H,2-5,8,11-15H2,1H3,(H,17,18)/b7-6-,10-9-
Mol Wt
252.3979999999999
Cas Id
21964-51-2
Smiles
CCCCCC=CCC=CCCCCCC(=O)O
Mol Log P
5.104300000000004
Version
v1,v2
In Ch Ikey
WPJGPAAPSBVXNU-HZJYTTRNSA-N
Ob Score
22.3908222.3908200722.391
Suppress
0
Num Hdonors
1
Drug Likeness
0.387
Num Hacceptors
1
Isomeric Smiles
CCCCC/C=C\C/C=C\CCCCCC(=O)O
Molecule Weight
252.44
Canonical Smiles
CCCCCC=CCC=CCCCCCC(=O)O
Herb Alias Names
7Z,10Z-hexadecadienoic acid28290-73-5(7Z,10Z)-HEXADECADIENOIC ACIDC16:2n-6,9(Z,Z)-7,10-Hexadecadienoic acidCHEBI:861477-cis,10-cis-hexadecadienoic acid(Z,Z)-hexadeca-7,10-dienoic acid(7Z,10Z)-7,10-Hexadecadienoic acid
Molecular Weight
252.210
Molecular Weight
222.41
Molecular Formula
C16H28O2
Molecular Formula
C16H30
Molecular Formula
C16H28O2
Num Rotatable Bonds
12
Fda Maximum Daily Dose (Fdamdd)
0.018
Quantitative Estimate Of Drug Likeness（Qed）
0.387