Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6076
- Core Entity Id
- 9937
- Source Entity Count
- 1
- Preferred Name
- 4-hydroxy-canthin-6-one
- Name En
- Pubchem Id
- 155859114
- Smiles Canonical
- C1=CC=C2C(=C1)C3=C4N2C(=O)C=C(C4=NC=C3)O
- Molecular Formula
- C14H8N2O2
- Molecular Weight
- 236.2300
- Inchikey
- ITUDNKAMEIUZFU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H8N2O2/c17-11-7-12(18)16-10-4-2-1-3-8(10)9-5-6-15-13(11)14(9)16/h1-7,17H
- Isomeric Smiles
- C1=CC=C2C(=C1)C3=C4N2C(=O)C=C(C4=NC=C3)O
- Cas Id
- 101219-61-8
- Ob Score
- 35.1099
- Mol Logp
- 2.1443
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Hydroxy-Canthin-6-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-Hydroxy-Canthin-6-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-hydroxy-canthin-6-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-hydroxy-canthin-6-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-hydroxy-canthin-6-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-hydroxy-canthin-6-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
106941-27-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
106941-27-9
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-hydroxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-hydroxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:201855
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:201855
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-1099282
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-1099282
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N12964
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N12964
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydroxycanthin-6-one, 4-
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroxycanthin-6-one, 4-
Role
alias
Source
itcmdb_public
Preferred
No
Name
PD151150
Role
alias
Source
HERB_v2
Preferred
No
Name
PD151150
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
106941-27-94-Hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one4-hydroxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-oneCHEBI:201855CS-1099282HY-N12964Hydroxycanthin-6-one, 4-PD151150
Cross References
Trusted external identifiers retained for this final record.
Cas
101219-61-8
Herb
HBIN010525
Tcmsp
MOL006304
Sym Map
SMIT07947
Pub Chem
155859114
Tcmbank
TCMBANKIN030859
Etcm Ingredient
4-hydroxy-canthin-6-one
Itcmdb Generated
ITX-INGREDIENT-913464BA1EBE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H8N2O2/c17-11-7-12(18)16-10-4-2-1-3-8(10)9-5-6-15-13(11)14(9)16/h1-7,17H
Mol Wt
236.23
Cas Id
101219-61-8
Mol Log P
2.1443
Version
v1,v2
In Ch Ikey
ITUDNKAMEIUZFU-UHFFFAOYSA-N
Ob Score
35.1099329435.10993335.11
Suppress
0
Num Hdonors
1
Drug Likeness
0.509
Num Hacceptors
4
Isomeric Smiles
C1=CC=C2C(=C1)C3=C4N2C(=O)C=C(C4=NC=C3)O
Molecule Weight
236.24
Canonical Smiles
C1=CC=C2C(=C1)C3=C4N2C(=O)C=C(C4=NC=C3)O
Herb Alias Names
106941-27-94-hydroxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one4-Hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-oneHydroxycanthin-6-one, 4-CHEBI:201855HY-N12964PD151150CS-1099282
Molecular Weight
236.060
Molecular Weight
266.25
Molecular Formula
C14H8N2O2
Molecular Formula
C15H10N2O3
Molecular Formula
C14H8N2O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.950
Quantitative Estimate Of Drug Likeness（Qed）
0.509