Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8015
- Core Entity Id
- 12083
- Source Entity Count
- 1
- Preferred Name
- 6-tridecylresorcylic acid
- Name En
- Pubchem Id
- 162958
- Smiles Canonical
- CCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)O
- Molecular Formula
- C20H32O4
- Molecular Weight
- 336.4720
- Inchikey
- SGSYRRSNJWAOJZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-17(21)15-18(22)19(16)20(23)24/h14-15,21-22H,2-13H2,1H3,(H,23,24)
- Isomeric Smiles
- CCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)O
- Cas Id
- 62071-09-4
- Ob Score
- 3.4400
- Mol Logp
- 5.6495
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.4070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Tridecylresorcylic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
6-Tridecylresorcylic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-Tridecylresorcylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-Tridecylresorcylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-tridecylresorcylic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-tridecylresorcylic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4-dihydroxy-6-tridecylbenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-dihydroxy-6-tridecylbenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4-dihydroxy-6-tridecylbenzoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
6-Tdra
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Tdra
Role
alias
Source
TCMBank
Preferred
No
Name
6-Tdra
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Tridecylresorcyclic Acid
Role
alias
Source
TCMBank
Preferred
No
Name
6-Tridecylresorcyclic Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Tridecylresorcyclic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
62071-09-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
62071-09-4
Role
alias
Source
HERB_v2
Preferred
No
Name
62071-09-4
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoic acid, 2,4-dihydroxy-6-tridecyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoic acid, 2,4-dihydroxy-6-tridecyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoic acid, 2,4-dihydroxy-6-tridecyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoic acid, 2,4-dihydroxy-6-tridecyl-, (S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoic acid, 2,4-dihydroxy-6-tridecyl-, (S)-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoic acid, 2,4-dihydroxy-6-tridecyl-, (S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70211121
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70211121
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,4-dihydroxy-6-tridecylbenzoic acid6-Tdra6-Tridecylresorcyclic Acid62071-09-4Benzoic acid, 2,4-dihydroxy-6-tridecyl-Benzoic acid, 2,4-dihydroxy-6-tridecyl-, (S)-DTXSID70211121
Cross References
Trusted external identifiers retained for this final record.
Cas
62071-09-4
Herb
HBIN012829
Tcmsp
MOL011048
Sym Map
SMIT12003
Pub Chem
162958
Tcmbank
TCMBANKIN034318
Etcm Ingredient
6-Tridecylresorcylic acid
Itcmdb Generated
ITX-INGREDIENT-69B12A49D2EB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-17(21)15-18(22)19(16)20(23)24/h14-15,21-22H,2-13H2,1H3,(H,23,24)
Mol Wt
336.472
Cas Id
62071-09-4
Smiles
CCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)O
Mol Log P
5.649500000000007
Version
v1,v2
In Ch Ikey
SGSYRRSNJWAOJZ-UHFFFAOYSA-N
Ob Score
3.443.4403053.440305423
Suppress
0
Num Hdonors
3
Drug Likeness
0.407
Num Hacceptors
3
Isomeric Smiles
CCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)O
Molecule Weight
336.52
Canonical Smiles
CCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)O
Herb Alias Names
62071-09-42,4-dihydroxy-6-tridecylbenzoic acidBenzoic acid, 2,4-dihydroxy-6-tridecyl-6-Tdra6-Tridecylresorcyclic AcidDTXSID70211121Benzoic acid, 2,4-dihydroxy-6-tridecyl-, (S)-
Molecular Weight
336.230
Molecular Weight
336.47
Molecular Formula
C20H32O4
Molecular Formula
C20H32O4
Molecular Formula
C20H32O4
Num Rotatable Bonds
13
Fda Maximum Daily Dose (Fdamdd)
0.047
Quantitative Estimate Of Drug Likeness（Qed）
0.407