Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 6Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7079
- Core Entity Id
- 11050
- Source Entity Count
- 1
- Preferred Name
- 5-methoxyflavanone
- Name En
- Pubchem Id
- 147795
- Smiles Canonical
- COC1=CC=CC2=C1C(=O)CC(O2)C3=CC=CC=C3
- Molecular Formula
- C16H14O3
- Molecular Weight
- 254.2850
- Inchikey
- YLLFUILNISGLHO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O3/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3
- Isomeric Smiles
- COC1=CC=CC2=C1C(=O)CC(O2)C3=CC=CC=C3
- Cas Id
- Ob Score
- Mol Logp
- 3.4017
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Methoxyflavanone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5-Methoxyflavanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5-methoxyflavanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-methoxyflavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-methoxyflavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
123931-32-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
123931-32-8
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-5-methoxy-2-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-5-methoxy-2-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-methoxy-2-phenylchroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-methoxy-2-phenylchroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
55947-36-9
Role
alias
Source
HERB_v2
Preferred
No
Name
55947-36-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00017479
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00017479
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oprea1_077693
Role
alias
Source
HERB_v2
Preferred
No
Name
Oprea1_077693
Role
alias
Source
itcmdb_public
Preferred
No
Name
ST069305
Role
alias
Source
HERB_v2
Preferred
No
Name
ST069305
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
123931-32-84H-1-Benzopyran-4-one, 2,3-dihydro-5-methoxy-2-phenyl-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one5-methoxy-2-phenylchroman-4-one55947-36-9MFCD00017479Oprea1_077693ST069305
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011752
Npass
NPC228184
Tcmid
35689
Sym Map
SMIT21745
Pub Chem
147795
Tcmbank
TCMBANKIN020187
Itcmdb Generated
ITX-INGREDIENT-5FCDA997D620
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H14O3/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3
Mol Wt
254.285
Smiles
COC1=CC=CC2=C1C(=O)CC(O2)C3=CC=CC=C3
Mol Log P
3.401700000000002
Version
v2
In Ch Ikey
YLLFUILNISGLHO-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.824
Num Hacceptors
3
Isomeric Smiles
COC1=CC=CC2=C1C(=O)CC(O2)C3=CC=CC=C3
Canonical Smiles
COC1=CC=CC2=C1C(=O)CC(O2)C3=CC=CC=C3
Herb Alias Names
55947-36-95-methoxy-2-phenylchroman-4-one123931-32-85-methoxy-2-phenyl-2,3-dihydrochromen-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-5-methoxy-2-phenyl-5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-oneMFCD00017479ST069305Oprea1_077693
Molecular Weight
254.28 g/mol
Molecular Formula
C16H14O3
Molecular Formula
C16H14O3
Num Rotatable Bonds
2