Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 9Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10684
- Core Entity Id
- 15037
- Source Entity Count
- 1
- Preferred Name
- Anacardic acid c
- Name En
- Pubchem Id
- 5318418
- Smiles Canonical
- CCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
- Molecular Formula
- C22H32O3
- Molecular Weight
- 344.4950
- Inchikey
- KAOMOVYHGLSFHQ-HTKRNXBHSA-N
- Inchi
- InChI=1S/C22H32O3/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/h4-5,7-8,15,17-18,23H,2-3,6,9-14,16H2,1H3,(H,24,25)/b5-4+,8-7-
- Isomeric Smiles
- CCC/C=C/C/C=C\CCCCCCCC1=C(C(=CC=C1)O)C(=O)O
- Cas Id
- Ob Score
- 24.0785
- Mol Logp
- 6.2761
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.3270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anacardic Acid C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Anacardic acid C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Anacardic acid C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Anacardic acid c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Anacardic acid c
Role
preferred
Source
itcmdb_public
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
Aliases
Additional names normalized into the restored final schema.
白果BAI GUOGinkgo Nut
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015965
Npass
NPC140983
Tcmid
112930594
Tcmsp
MOL011052
Sym Map
SMIT12007SMIT14275SMIT19087
Pub Chem
5318418
Tcmbank
TCMBANKIN034915
Etcm Ingredient
Anacardic acid C
Itcmdb Generated
ITX-INGREDIENT-8289749DA6D2ITX-INGREDIENT-CACDF3C36902
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H32O3/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/h4-5,7-8,15,17-18,23H,2-3,6,9-14,16H2,1H3,(H,24,25)/b5-4+,8-7-
Mol Wt
344.4949999999999
Mol Log P
6.276100000000007
Version
v1,v2
In Ch Ikey
KAOMOVYHGLSFHQ-HTKRNXBHSA-N
Ob Score
24.0785316824.079
Suppress
0
Tcm Name
白果
Tcm Name2
BAI GUO
Mol2 Path
/TCM_database/2007_3d_all/01129.mol2
Reference
2
Num Hdonors
2
Tcm Name En
Ginkgo Nut
Drug Likeness
0.327
Num Hacceptors
2
Isomeric Smiles
CCC/C=C/C/C=C\CCCCCCCC1=C(C(=CC=C1)O)C(=O)O
Molecule Weight
344.54
Canonical Smiles
CCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
Molecular Weight
344.240
Molecular Formula
C22H32O3
Molecular Formula
C22H32O3
Num Rotatable Bonds
13
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.327