Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20731
- Core Entity Id
- 26225
- Source Entity Count
- 1
- Preferred Name
- Griffinin
- Name En
- Pubchem Id
- 10495999
- Smiles Canonical
- CC1=C2C3=C(C4=CC=CC=C14)C(=C(C=C3C(=O)C(=O)N2)OC)OC
- Molecular Formula
- C19H15NO4
- Molecular Weight
- 321.1000
- Inchikey
- XURJNCATKSWBQE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H15NO4/c1-9-10-6-4-5-7-11(10)15-14-12(8-13(23-2)18(15)24-3)17(21)19(22)20-16(9)14/h4-8H,1-3H3,(H,20,22)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.5000
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 64.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Griffinin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Griffinin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Griffinin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
griffinin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028417
Tcmid
9001
Tcmbank
TCMBANKIN040241
Etcm Ingredient
Griffinin
Itcmdb Generated
ITX-INGREDIENT-EF7C4F8461A2
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2007_3d_all/09002.mol2
Reference
5453
Molecular Weight
321.100
Molecular Formula
C19H15NO4
Molecular Formula
C19H15NO4
Molecular Formula
C19H15NO4
Fda Maximum Daily Dose (Fdamdd)
0.242
Quantitative Estimate Of Drug Likeness（Qed）
0.440