Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 14Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10683
- Core Entity Id
- 15036
- Source Entity Count
- 1
- Preferred Name
- Anacardic acid
- Name En
- Pubchem Id
- 167551
- Smiles Canonical
- CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
- Molecular Formula
- C22H36O3
- Molecular Weight
- 348.5270
- Inchikey
- ADFWQBGTDJIESE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)
- Isomeric Smiles
- CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
- Cas Id
- 16611-84-0
- Ob Score
- 15.9400
- Mol Logp
- 6.7241
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.3460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anacardic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Anacardicacid A
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Anacardic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Anacardic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Anacardic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Anacardic acid A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Anacardicacid A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Anacardicacid a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Anacardicacid a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hydroginkgolic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hydroginkgolic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
anacardic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
anacardic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
白果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAI GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ginkgo Nut
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
16611-84-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
16611-84-0
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxy-6-pentadecylbenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxy-6-pentadecylbenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
22:0-Anacardic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
22:0-Anacardic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Pentadecylsalicylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Pentadecylsalicylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
ANACARDIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
ANACARDIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoic acid, 2-hydroxy-6-pentadecyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoic acid, 2-hydroxy-6-pentadecyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ginkgolic acid C15:0
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ginkgolic acid C15:0
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroginkgolic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydroginkgolic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
cyclogallipharic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
cyclogallipharic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
都咸子;白果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DU XIAN ZI;BAI GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Cashew Fruit;Ginkgo Nut
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Anacardicacid AAnacardic acid AHydroginkgolic acid白果BAI GUOGinkgo Nut16611-84-02-Hydroxy-6-pentadecylbenzoic acid22:0-Anacardic acid6-Pentadecylsalicylic acidBenzoic acid, 2-hydroxy-6-pentadecyl-Ginkgolic acid C15:0cyclogallipharic acid都咸子;白果DU XIAN ZI;BAI GUOCommon Cashew Fruit;Ginkgo Nut
Cross References
Trusted external identifiers retained for this final record.
Cas
16611-84-0
Hit
C0897C1148
Herb
HBIN015963HBIN015964HBIN029679
Npass
NPC184579NPC188383NPC35856
Tcmid
11282330223933
Tcmsp
MOL011050
Sym Map
SMIT12005SMIT14274
Tcm Id
2153836576816
Pub Chem
167551
Tcmbank
TCMBANKIN041955TCMBANKIN061082TCMBANKIN055077
Etcm Ingredient
anacardic acid
Itcmdb Generated
ITX-INGREDIENT-71F5BEAB1913ITX-INGREDIENT-B92AEA225550ITX-INGREDIENT-F3F1145B9A45
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)
Mol Wt
348.527
Cas Id
16611-84-0
Smiles
CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
Mol Log P
6.724100000000008
Version
v1,v2
In Ch Ikey
ADFWQBGTDJIESE-UHFFFAOYSA-N
Ob Score
15.9415.9400617715.940062
Suppress
0
Tcm Name
白果
Tcm Name2
BAI GUO
Mol2 Path
/TCM_database/2007_3d_all/01128.mol2
Reference
2, 6, 658, 660
Num Hdonors
2
Tcm Name En
Ginkgo Nut
Drug Likeness
0.346
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
Molecule Weight
348.58
Canonical Smiles
CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
Herb Alias Names
16611-84-02-Hydroxy-6-pentadecylbenzoic acid6-Pentadecylsalicylic acidGinkgolic acid C15:0Hydroginkgolic acid2-Hydroxy-6-pentadecyl-benzoic acidcyclogallipharic acid22:0-Anacardic acidBenzoic acid, 2-hydroxy-6-pentadecyl-
Molecular Weight
348.270
Molecular Weight
348.52
Molecule Formula
C22H36O3
Molecular Formula
C22H36O3
Molecular Formula
C22H36O3
Molecular Formula
C22H36O3
Num Rotatable Bonds
15
Fda Maximum Daily Dose (Fdamdd)
0.012
Quantitative Estimate Of Drug Likeness（Qed）
0.346