Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 7Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8016
- Core Entity Id
- 12084
- Source Entity Count
- 1
- Preferred Name
- 6-tridecylsalicylic acid
- Name En
- Pubchem Id
- 161306
- Smiles Canonical
- CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
- Molecular Formula
- C20H32O3
- Molecular Weight
- 320.4730
- Inchikey
- VEPUCZUJLKAVNM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23)
- Isomeric Smiles
- CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
- Cas Id
- 20261-38-5
- Ob Score
- 16.9920
- Mol Logp
- 5.9439
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.4420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Tridecylsalicylic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
6-Tridecylsalicylic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-Tridecylsalicylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-Tridecylsalicylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-tridecylsalicylic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-tridecylsalicylic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-Hydroxy-6-tridecylbenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxy-6-tridecylbenzoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-Hydroxy-6-tridecylbenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
20261-38-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
20261-38-5
Role
alias
Source
TCMBank
Preferred
No
Name
20261-38-5
Role
alias
Source
HERB_v2
Preferred
No
Name
6-n-Tridecylsalicylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-n-Tridecylsalicylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
6-n-Tridecylsalicylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
6-tridecyl phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
6-tridecyl phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 2660108
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoic acid, 2-hydroxy-6-tridecyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoic acid, 2-hydroxy-6-tridecyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoic acid, 2-hydroxy-6-tridecyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL476921
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL476921
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ginkgolic acid C13:0
Role
alias
Source
HERB_v2
Preferred
No
Name
Ginkgolic acid C13:0
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ginkgoneolic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Ginkgoneolic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Salicylic acid, 6-tridecyl- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Hydroxy-6-tridecylbenzoic acid20261-38-56-n-Tridecylsalicylic acid6-tridecyl phenolBRN 2660108Benzoic acid, 2-hydroxy-6-tridecyl-CHEMBL476921Ginkgolic acid C13:0Ginkgoneolic acidSalicylic acid, 6-tridecyl- (8CI)
Cross References
Trusted external identifiers retained for this final record.
Cas
20261-38-5
Herb
HBIN012830
Npass
NPC272454
Tcmsp
MOL011062
Sym Map
SMIT12016
Pub Chem
161306
Tcmbank
TCMBANKIN024787
Etcm Ingredient
6-Tridecylsalicylic acid
Itcmdb Generated
ITX-INGREDIENT-2A69C03563CE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23)
Mol Wt
320.473
Cas Id
20261-38-5
Smiles
CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
Mol Log P
5.943900000000007
Version
v1,v2
In Ch Ikey
VEPUCZUJLKAVNM-UHFFFAOYSA-N
Ob Score
16.99216.99221516.99221522
Suppress
0
Num Hdonors
2
Drug Likeness
0.442
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
Molecule Weight
320.52
Canonical Smiles
CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
Herb Alias Names
20261-38-5Ginkgoneolic acid2-Hydroxy-6-tridecylbenzoic acidGinkgolic acid C13:0Ginkgolic acid (C13:0)6-n-Tridecylsalicylic acidBenzoic acid, 2-hydroxy-6-tridecyl-6-tridecyl phenolCHEMBL476921
Molecular Weight
320.240
Molecular Weight
320.47
Molecular Formula
C20H32O3
Molecular Formula
C20H32O3
Molecular Formula
C20H32O3
Num Rotatable Bonds
13
Fda Maximum Daily Dose (Fdamdd)
0.012
Quantitative Estimate Of Drug Likeness（Qed）
0.442