Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Meta-analysis: 1Target: 10Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8653
- Core Entity Id
- 12787
- Source Entity Count
- 1
- Preferred Name
- Lax
- Name En
- Pubchem Id
- 445586
- Smiles Canonical
- CCCCCC=CCC=CCC=CCCCCCCC(=O)O
- Molecular Formula
- C20H34O2
- Molecular Weight
- 308.5060
- Inchikey
- DONHHCGFNMNGPH-ASZCUJMBSA-N
- Inchi
- InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,12-13H,2-5,8-11,14-19H2,1H3,(H,21,22)/b7-6-,13-12-
- Isomeric Smiles
- CCCCC/C=C\CCCC/C=C\CCCCCCC(=O)O
- Cas Id
- 1783-84-2
- Ob Score
- 44.1100
- Mol Logp
- 6.6647
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.2550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lax
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
8,11,14-eicosatrienoic acid; (all-z)-form
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
8,11,14-eicosatrienoic acid; (all-z)-form
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8,11,14-eicosatrienoic acid; (all-z)-form
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
LAX
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lax
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lax
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lax
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(8Z,14Z)-Eicosadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(8Z,14Z)-icosa-8,14-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(8Z,14Z)-icosa-8,14-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
135498-07-6
Role
alias
Source
HERB_v2
Preferred
No
Name
135498-07-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
8(Z), 14(Z)-EICOSADIENOIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:180518
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:180518
Role
alias
Source
HERB_v2
Preferred
No
Name
Eicosadienoic Acid (8Z,14Z)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eicosadienoic Acid (8Z,14Z)
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-138889
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-138889
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL13284670
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL13284670
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
8,11,14-eicosatrienoic acid; (all-z)-form(8Z,14Z)-Eicosadienoic acid(8Z,14Z)-icosa-8,14-dienoic acid135498-07-68(Z), 14(Z)-EICOSADIENOIC ACIDCHEBI:180518Eicosadienoic Acid (8Z,14Z)HY-138889SCHEMBL13284670
Cross References
Trusted external identifiers retained for this final record.
Cas
1783-84-2
Herb
HBIN013523HBIN032778
Npass
NPC154245
Tcmid
40912
Tcmsp
MOL006202
Sym Map
SMIT07859
Tcm Id
7404
Pub Chem
4455865280581
Tcmbank
TCMBANKIN034468TCMBANKIN060875
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,12-13H,2-5,8-11,14-19H2,1H3,(H,21,22)/b7-6-,13-12-
Mol Wt
308.506
Cas Id
1783-84-2
Smiles
CCCCCC=CCC=CCC=CCCCCCCC(=O)O
Mol Log P
6.664700000000006
Version
v1
In Ch Ikey
DONHHCGFNMNGPH-ASZCUJMBSA-N
Ob Score
44.1144.1102988344.110299
Suppress
0
Num Hdonors
1
Drug Likeness
0.255
Num Hacceptors
1
Isomeric Smiles
CCCCC/C=C\CCCC/C=C\CCCCCCC(=O)O
Molecule Weight
306.54
Canonical Smiles
CCCCCC=CCCCCC=CCCCCCCC(=O)O
Molecular Weight
306.48
Molecular Formula
C20H34O2
Molecular Formula
C20H34O2C20H36O2
Num Rotatable Bonds
16