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
- 20734
- Core Entity Id
- 26228
- Source Entity Count
- 1
- Preferred Name
- Griffithazanone a
- Name En
- Pubchem Id
- 10706277
- Smiles Canonical
- CC1C(C(=O)NC2=C1C(=O)C3=CC=CC=C3C2=O)O
- Molecular Formula
- C14H11NO4
- Molecular Weight
- 257.2450
- Inchikey
- SZPJSZDUSLSXDF-KSBSHMNSSA-N
- Inchi
- InChI=1S/C14H11NO4/c1-6-9-10(15-14(19)11(6)16)13(18)8-5-3-2-4-7(8)12(9)17/h2-6,11,16H,1H3,(H,15,19)/t6-,11-/m1/s1
- Isomeric Smiles
- C[C@H]1[C@H](C(=O)NC2=C1C(=O)C3=CC=CC=C3C2=O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.4465
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Griffithazanone A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Griffithazanone a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Griffithazanone a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
griffithazanone a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3R,4R)-3-hydroxy-4-methyl-3,4-dihydro-1H-benzo[g]quinoline-2,5,10-trione
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R,4R)-3-hydroxy-4-methyl-3,4-dihydro-1H-benzo[g]quinoline-2,5,10-trione
Role
alias
Source
HERB_v2
Preferred
No
Name
240122-30-9
Role
alias
Source
HERB_v2
Preferred
No
Name
240122-30-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040763107
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040763107
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-9469
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-9469
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3R,4R)-3-hydroxy-4-methyl-3,4-dihydro-1H-benzo[g]quinoline-2,5,10-trione240122-30-9AKOS040763107FS-9469
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028419
Tcmid
9003
Pub Chem
10706277
Tcmbank
TCMBANKIN049944
Etcm Ingredient
Griffithazanone A
Itcmdb Generated
ITX-INGREDIENT-E7B9A9DB4DD8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H11NO4/c1-6-9-10(15-14(19)11(6)16)13(18)8-5-3-2-4-7(8)12(9)17/h2-6,11,16H,1H3,(H,15,19)/t6-,11-/m1/s1
Mol Wt
257.245
Smiles
CC1C(C(=O)NC2=C1C(=O)C3=CC=CC=C3C2=O)O
Mol Log P
0.4465000000000002
In Ch Ikey
SZPJSZDUSLSXDF-KSBSHMNSSA-N
Mol2 Path
/TCM_database/2007_3d_all/09004.mol2
Reference
2447
Num Hdonors
2
Drug Likeness
0.706
Num Hacceptors
4
Isomeric Smiles
C[C@H]1[C@H](C(=O)NC2=C1C(=O)C3=CC=CC=C3C2=O)O
Canonical Smiles
CC1C(C(=O)NC2=C1C(=O)C3=CC=CC=C3C2=O)O
Herb Alias Names
240122-30-9(3R,4R)-3-hydroxy-4-methyl-3,4-dihydro-1H-benzo[g]quinoline-2,5,10-trioneAKOS040763107FS-9469
Molecular Weight
257.070
Molecular Weight
257.24 g/mol
Molecular Formula
C14H11NO4
Molecular Formula
C14H11NO4
Molecular Formula
C14H11NO4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.100
Quantitative Estimate Of Drug Likeness（Qed）
0.366