Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9171
- Core Entity Id
- 13360
- Source Entity Count
- 1
- Preferred Name
- 9-hydroxycanthin-6-one
- Name En
- Pubchem Id
- 10263500
- Smiles Canonical
- C1=CC2=C3C=CNC4=C3N(C2=CC1=O)C(=O)C=C4
- Molecular Formula
- C14H8N2O2
- Molecular Weight
- 236.2300
- Inchikey
- YMNACIYZMIKRMM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H8N2O2/c17-8-1-2-9-10-5-6-15-11-3-4-13(18)16(14(10)11)12(9)7-8/h1-7,15H
- Isomeric Smiles
- C1=CC2=C3C=CNC4=C3N(C2=CC1=O)C(=O)C=C4
- Cas Id
- Ob Score
- Mol Logp
- 1.7320
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9-Hydroxycanthin-6-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
9-Hydroxycanthin-6-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9-hydroxycanthin-6-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
9-hydroxycanthin-6-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eurycoma harmandiana (Staphyleaceae)
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
138544-91-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
138544-91-9
Role
alias
Source
HERB_v2
Preferred
No
Name
9-Hydroxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Hydroxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040761293
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040761293
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50090907
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50090907
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:66041
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66041
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL444160
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL444160
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID601220900
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID601220900
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N7183
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N7183
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Eurycoma harmandiana (Staphyleaceae)1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione138544-91-99-Hydroxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-oneAKOS040761293BDBM50090907CHEBI:66041CHEMBL444160DTXSID601220900HY-N7183
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014118
Tcmid
9884
Pub Chem
10263500
Tcmbank
TCMBANKIN038190
Etcm Ingredient
9-Hydroxycanthin-6-one
Itcmdb Generated
ITX-INGREDIENT-9B41D21C8EB7
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H8N2O2/c17-8-1-2-9-10-5-6-15-11-3-4-13(18)16(14(10)11)12(9)7-8/h1-7,15H
Mol Wt
236.23
Mol Log P
1.732
In Ch Ikey
YMNACIYZMIKRMM-UHFFFAOYSA-N
Tcm Name2
Eurycoma harmandiana (Staphyleaceae)
Mol2 Path
/TCM_database/2007_3d_all/09885.mol2
Reference
4728, 5137
Num Hdonors
1
Drug Likeness
0.505
Num Hacceptors
3
Isomeric Smiles
C1=CC2=C3C=CNC4=C3N(C2=CC1=O)C(=O)C=C4
Canonical Smiles
C1=CC2=C3C=CNC4=C3N(C2=CC1=O)C(=O)C=C4
Herb Alias Names
138544-91-9CHEBI:66041CHEMBL4441601,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione9-Hydroxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-oneDTXSID601220900HY-N7183BDBM50090907AKOS040761293
Molecular Weight
236.060
Molecular Weight
236.22 g/mol
Molecular Formula
C14H8N2O2
Molecular Formula
C14H8N2O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.956
Quantitative Estimate Of Drug Likeness（Qed）
0.505