Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 42392
- Core Entity Id
- 85403
- Source Entity Count
- 1
- Preferred Name
- Lobaric acid
- Name En
- Pubchem Id
- 73157
- Smiles Canonical
- CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)C(=O)CCCC)OC)O)C(=O)O
- Molecular Formula
- C25H28O8
- Molecular Weight
- 456.5000
- Inchikey
- JHEWMLHQNRHTQX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H28O8/c1-4-6-8-9-15-21(24(28)29)18(27)13-20-23(15)32-19-12-14(31-3)11-16(17(26)10-7-5-2)22(19)25(30)33-20/h11-13,27H,4-10H2,1-3H3,(H,28,29)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.1000
- Num H Donors
- 2
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 119.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lobaric acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
高山珊瑚枝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Stereocaulon alpinum
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
高山珊瑚枝Stereocaulon alpinum
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN007774
Itcmdb Generated
ITX-INGREDIENT-7015E3EDA242
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
高山珊瑚枝
Tcm Name2
Stereocaulon alpinum
Mol2 Path
/TCM_database/2007_3d_all/12936.mol2
Reference
4082