Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6659
- Core Entity Id
- 10580
- Source Entity Count
- 1
- Preferred Name
- 5,7,4′-trihydroxy-8-methoxyflavanone
- Name En
- Pubchem Id
- 42608119
- Smiles Canonical
- COC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)O
- Molecular Formula
- C16H14O6
- Molecular Weight
- 302.2820
- Inchikey
- OJCCBPWPNVUJFG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O6/c1-21-15-12(20)6-10(18)14-11(19)7-13(22-16(14)15)8-2-4-9(17)5-3-8/h2-6,13,17-18,20H,7H2,1H3
- Isomeric Smiles
- COC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)O
- Cas Id
- Ob Score
- 74.2352
- Mol Logp
- 2.5185
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,7,4′-Trihydroxy-8-Methoxyflavanone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5,7,4'-trihydroxy-8-methoxyflavanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,7,4′-Trihydroxy-8-Methoxyflavanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5,7,4′-Trihydroxy-8-methoxyflavanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,7,4′-trihydroxy-8-methoxyflavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,7,4′-trihydroxy-8-methoxyflavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,7,4'-Trihydroxy-8-methoxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7,4'-Trihydroxy-8-methoxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
94884-92-1
Role
alias
Source
HERB_v2
Preferred
No
Name
94884-92-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12140670
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12140670
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5,7,4'-trihydroxy-8-methoxyflavanone5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-2,3-dihydrochromen-4-one94884-92-1LMPK12140670
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011232
Npass
NPC256803
Tcmid
41129
Sym Map
SMIT21649
Pub Chem
42608119
Tcmbank
TCMBANKIN005942
Etcm Ingredient
5,7,4'-trihydroxy-8-methoxyflavanone
Itcmdb Generated
ITX-INGREDIENT-0214DEBACAA5ITX-INGREDIENT-228CF9A32DE1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H14O6/c1-21-15-12(20)6-10(18)14-11(19)7-13(22-16(14)15)8-2-4-9(17)5-3-8/h2-6,13,17-18,20H,7H2,1H3
Mol Wt
302.282
Smiles
COC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)O
Mol Log P
2.518500000000003
Version
v1,v2v2
In Ch Ikey
OJCCBPWPNVUJFG-UHFFFAOYSA-N
Ob Score
74.23522001
Suppress
0
Num Hdonors
3
Drug Likeness
0.789
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)O
Molecule Weight
302.3
Canonical Smiles
COC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)O
Herb Alias Names
5,7,4'-Trihydroxy-8-methoxyflavanoneLMPK121406705,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-2,3-dihydrochromen-4-one94884-92-1
Molecular Weight
302.080
Molecule Formula
C16H14O6
Molecular Formula
C16H14O6
Molecular Formula
C16H14O6
Molecular Formula
C16H14O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.189
Quantitative Estimate Of Drug Likeness（Qed）
0.789