Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 4Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8375
- Core Entity Id
- 12479
- Source Entity Count
- 1
- Preferred Name
- 7-hydroxy-2-methyl-3-phenyl-chromone
- Name En
- Pubchem Id
- 5380976
- Smiles Canonical
- CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=CC=C3
- Molecular Formula
- C16H12O3
- Molecular Weight
- 252.2690
- Inchikey
- BBCDTCKKROIGAB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O3/c1-10-15(11-5-3-2-4-6-11)16(18)13-8-7-12(17)9-14(13)19-10/h2-9,17H,1H3
- Isomeric Smiles
- CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=CC=C3
- Cas Id
- 2859-88-3
- Ob Score
- 25.7988
- Mol Logp
- 3.4740
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Hydroxy-2-Methyl-3-Phenyl-Chromone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-hydroxy-2-methyl-3-phenyl-chromone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-hydroxy-2-methyl-3-phenyl-chromone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2859-88-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
2859-88-3
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-2-methyl-3-phenyl-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-2-methyl-3-phenyl-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-2-methyl-3-phenyl-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-2-methylisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-2-methylisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-2-methyl-3-phenylchromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00546333
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00546333
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 108340
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC108340
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2859-88-34H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-phenyl-7-Hydroxy-2-methyl-3-phenyl-4H-chromen-4-one7-Hydroxy-2-methyl-3-phenyl-chromen-4-one7-Hydroxy-2-methylisoflavone7-hydroxy-2-methyl-3-phenylchromen-4-oneMFCD00546333NSC 108340NSC108340
Cross References
Trusted external identifiers retained for this final record.
Cas
2859-88-3
Herb
HBIN013215HBIN013217
Npass
NPC228661
Tcmid
10498
Tcmsp
MOL004992
Sym Map
SMIT06816
Pub Chem
5380976
Tcmbank
TCMBANKIN059691
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H12O3/c1-10-15(11-5-3-2-4-6-11)16(18)13-8-7-12(17)9-14(13)19-10/h2-9,17H,1H3
Mol Wt
252.269
Cas Id
2859-88-3
Smiles
CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=CC=C3
Mol Log P
3.474020000000002
Version
v1,v2
In Ch Ikey
BBCDTCKKROIGAB-UHFFFAOYSA-N
Ob Score
25.7988293625.799
Suppress
0
Num Hdonors
1
Drug Likeness
0.721
Num Hacceptors
3
Isomeric Smiles
CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=CC=C3
Molecule Weight
252.28
Canonical Smiles
CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=CC=C3
Herb Alias Names
2859-88-37-Hydroxy-2-methyl-3-phenyl-4H-chromen-4-one7-Hydroxy-2-methyl-3-phenyl-chromen-4-one7-hydroxy-2-methyl-3-phenylchromen-4-one7-Hydroxy-2-methylisoflavoneNSC1083404H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-phenyl-NSC-108340MFCD00546333NSC 108340
Molecular Weight
252.26 g/mol
Molecular Formula
C16H12O3
Molecular Formula
C16H12O3
Num Rotatable Bonds
1