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
- 8400
- Core Entity Id
- 12507
- Source Entity Count
- 1
- Preferred Name
- 7-hydroxy-5-methoxy-6,8-dimethylflavanone
- Name En
- Pubchem Id
- 15413154
- Smiles Canonical
- CC1=C(C(=C(C2=C1OC(CC2=O)C3=CC=CC=C3)OC)C)O
- Molecular Formula
- C18H18O4
- Molecular Weight
- 298.3380
- Inchikey
- QKZDDOUPWXQRIK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H18O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-8,14,20H,9H2,1-3H3
- Isomeric Smiles
- CC1=C(C(=C(C2=C1OC(CC2=O)C3=CC=CC=C3)OC)C)O
- Cas Id
- Ob Score
- Mol Logp
- 3.7241
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.9180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Hydroxy-5-methoxy-6,8-dimethylflavanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-Hydroxy-5-methoxy-6,8-dimethylflavanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-hydroxy-5-methoxy-6,8-dimethylflavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-hydroxy-5-methoxy-6,8-dimethylflavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
洋蒲桃叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YANG PU TAO YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Samalanga Syzygium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-5-methoxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-5-methoxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:191689
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:191689
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12140195
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12140195
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
洋蒲桃叶YANG PU TAO YESamalanga Syzygium(+)-6,8-Di-C-methylpinocembrin 5-methyl ether7-hydroxy-5-methoxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-oneCHEBI:191689LMPK12140195
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013244
Tcmid
10398
Pub Chem
15413154
Tcmbank
TCMBANKIN048955
Etcm Ingredient
7-Hydroxy-5-methoxy-6,8-dimethylflavanone
Itcmdb Generated
ITX-INGREDIENT-3D8E131A2E59
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H18O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-8,14,20H,9H2,1-3H3
Mol Wt
298.338
Mol Log P
3.724140000000004
In Ch Ikey
QKZDDOUPWXQRIK-UHFFFAOYSA-N
Tcm Name
洋蒲桃叶
Tcm Name2
YANG PU TAO YE
Mol2 Path
/TCM_database/2007_3d_all/10399.mol2
Reference
4100
Num Hdonors
1
Tcm Name En
Samalanga Syzygium
Drug Likeness
0.918
Num Hacceptors
4
Isomeric Smiles
CC1=C(C(=C(C2=C1OC(CC2=O)C3=CC=CC=C3)OC)C)O
Canonical Smiles
CC1=C(C(=C(C2=C1OC(CC2=O)C3=CC=CC=C3)OC)C)O
Herb Alias Names
(+)-6,8-Di-C-methylpinocembrin 5-methyl ether7-hydroxy-5-methoxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-oneCHEBI:191689LMPK12140195
Molecular Weight
298.120
Molecular Weight
298.3 g/mol
Molecular Formula
C18H18O4
Molecular Formula
C18H18O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.295
Quantitative Estimate Of Drug Likeness（Qed）
0.918