Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6683
- Core Entity Id
- 10607
- Source Entity Count
- 1
- Preferred Name
- 5,7-dihydroxy-2,6,8-trimethylchromone
- Name En
- Pubchem Id
- 179520
- Smiles Canonical
- CC1=CC(=O)C2=C(C(=C(C(=C2O1)C)O)C)O
- Molecular Formula
- C12H12O4
- Molecular Weight
- 220.2240
- Inchikey
- ODNMTIVRLHXQTE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H12O4/c1-5-4-8(13)9-11(15)6(2)10(14)7(3)12(9)16-5/h4,14-15H,1-3H3
- Isomeric Smiles
- CC1=CC(=O)C2=C(C(=C(C(=C2O1)C)O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.1295
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,7-dihydroxy-2,6,8-trimethylchromone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,7-dihydroxy-2,6,8-trimethylchromone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,7-dihydroxy-2,6,8-trimethylchromone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
"5,7-Dihydroxy-2,6,8-trimethylchromone"
Role
alias
Source
HERB_v2
Preferred
No
Name
"5,7-Dihydroxy-2,6,8-trimethylchromone"
Role
alias
Source
itcmdb_public
Preferred
No
Name
41682-21-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
41682-21-7
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dihydroxy-2,6,8-trimethyl-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-Dihydroxy-2,6,8-trimethyl-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2,6,8-trimethylchromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2,6,8-trimethylchromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Methyleugenitol
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Methyleugenitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032948439
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS032948439
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:144103
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:144103
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2164951
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2164951
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00961900
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00961900
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2,6,8-trimethyl-4h-1-benzopyran-4-one,9ci
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
"5,7-Dihydroxy-2,6,8-trimethylchromone"41682-21-75,7-Dihydroxy-2,6,8-trimethyl-4H-1-benzopyran-4-one5,7-dihydroxy-2,6,8-trimethylchromen-4-one8-MethyleugenitolAKOS032948439CHEBI:144103CHEMBL2164951DTXSID009619005,7-dihydroxy-2,6,8-trimethyl-4h-1-benzopyran-4-one,9ci
Cross References
Trusted external identifiers retained for this final record.
Cas
41682-21-7
Herb
HBIN011268HBIN011267
Npass
NPC55925
Tcmid
6166
Tcm Id
7712
Pub Chem
179520
Tcmbank
TCMBANKIN040130TCMBANKIN033013
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H12O4/c1-5-4-8(13)9-11(15)6(2)10(14)7(3)12(9)16-5/h4,14-15H,1-3H3
Mol Wt
220.224
Smiles
CC1=CC(=O)C2=C(C(=C(C(=C2O1)C)O)C)O
Mol Log P
2.12946
In Ch Ikey
ODNMTIVRLHXQTE-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/06167.mol2
Reference
4398
Num Hdonors
2
Drug Likeness
0.713
Num Hacceptors
4
Isomeric Smiles
CC1=CC(=O)C2=C(C(=C(C(=C2O1)C)O)C)O
Canonical Smiles
CC1=CC(=O)C2=C(C(=C(C(=C2O1)C)O)C)O
Herb Alias Names
8-Methyleugenitol41682-21-75,7-dihydroxy-2,6,8-trimethylchromen-4-one5,7-Dihydroxy-2,6,8-trimethyl-4H-1-benzopyran-4-oneCHEMBL2164951DTXSID00961900CHEBI:144103AKOS032948439"5,7-Dihydroxy-2,6,8-trimethylchromone"
Molecular Weight
220.22 g/mol
Molecular Formula
C12H12O4
Molecular Formula
C12H12O4
Num Rotatable Bonds
0