Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 8Ingredient: 1Target: 19Links: 30
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2645
- Core Entity Id
- 6128
- Source Entity Count
- 1
- Preferred Name
- (2s)-flavanone
- Name En
- Pubchem Id
- 439652
- Smiles Canonical
- C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
- Molecular Formula
- C15H12O2
- Molecular Weight
- 224.2590
- Inchikey
- ZONYXWQDUYMKFB-HNNXBMFYSA-N
- Inchi
- InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2/t15-/m0/s1
- Isomeric Smiles
- C1[C@@H](OC2=CC=CC=C2C1=O)C3=CC=CC=C3
- Cas Id
- 487-26-3
- Ob Score
- 54.2960
- Mol Logp
- 3.3931
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R)-Flavanone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2S)-Flavanone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2R)-Flavanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R)-flavanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2R)-flavanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S)-Flavanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2r)-flavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2r)-flavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2s)-flavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2s)-flavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-Flavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Flavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-2-phenyl-2,3-dihydro-4H-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-phenyl-2,3-dihydro-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-2-phenyl-2,3-dihydro-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-2-phenyl-4-chromanone
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-phenylchroman-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-2-Phenyl-4-chromanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-2-Phenyl-4-chromanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-2-phenylchroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-2-phenylchroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-Phenyl-4-chromanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-Phenyl-4-chromanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
17002-31-2
Role
alias
Source
HERB_v2
Preferred
No
Name
17002-31-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
27439-12-9
Role
alias
Source
HERB_v2
Preferred
No
Name
27439-12-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-2-phenyl-, (2R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-2-phenyl-, (2R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
94166II
Role
alias
Source
HERB_v2
Preferred
No
Name
94166II
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:36105
Role
alias
Source
TCMBank
Preferred
No
Name
Flavanone, (R)-(+)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavanone, (R)-(+)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavanone, (S)-(-)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavanone, (S)-(-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
N50DYZ2H5Q
Role
alias
Source
HERB_v2
Preferred
No
Name
N50DYZ2H5Q
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-N50DYZ2H5Q
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-N50DYZ2H5Q
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC00058113
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R)-Flavanone(-)-Flavanone(2R)-2-phenyl-2,3-dihydro-4H-chromen-4-one(2R)-2-phenyl-2,3-dihydrochromen-4-one(2R)-2-phenyl-4-chromanone(2R)-2-phenylchroman-4-one(2S)-2-phenyl-2,3-dihydrochromen-4-one(R)-2-Phenyl-4-chromanone(R)-2-phenylchroman-4-one(S)-2-Phenyl-4-chromanone17002-31-227439-12-94H-1-Benzopyran-4-one, 2,3-dihydro-2-phenyl-, (2R)-94166IICHEBI:36105Flavanone, (R)-(+)-Flavanone, (S)-(-)-N50DYZ2H5QUNII-N50DYZ2H5QZINC00058113
Cross References
Trusted external identifiers retained for this final record.
Cas
487-26-3
Herb
HBIN006545HBIN006807
Npass
NPC73435
Tcmsp
MOL006595MOL010244
Sym Map
SMIT08190SMIT11306
Pub Chem
439652689010
Tcmbank
TCMBANKIN058547
Etcm Ingredient
(2R)-flavanone
Itcmdb Generated
ITX-INGREDIENT-A5834FA90400
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2/t15-/m0/s1InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2/t15-/m1/s1
Mol Wt
224.259
Cas Id
487-26-3
Smiles
C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
Mol Log P
3.393100000000002
Version
v1,v2
In Ch Ikey
ZONYXWQDUYMKFB-HNNXBMFYSA-NZONYXWQDUYMKFB-OAHLLOKOSA-N
Ob Score
54.29654.2962705254.29627164.036855864.037
Suppress
0
Num Hdonors
0
Drug Likeness
0.742
Num Hacceptors
2
Isomeric Smiles
C1[C@@H](OC2=CC=CC=C2C1=O)C3=CC=CC=C3C1[C@H](OC2=CC=CC=C2C1=O)C3=CC=CC=C3
Molecule Weight
224.27
Canonical Smiles
C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
Herb Alias Names
27439-12-9(+)-Flavanone(R)-2-phenylchroman-4-oneFlavanone, (+)-Flavanone, (R)-(+)-(R)-2-Phenyl-4-chromanone(2R)-2-phenyl-2,3-dihydro-4H-chromen-4-one(2R)-2-phenyl-2,3-dihydrochromen-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-2-phenyl-, (2R)-
Molecular Weight
224.080
Molecular Weight
224.25
Molecular Formula
C15H12O2
Molecular Formula
C15H12O2
Molecular Formula
C15H12O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.096
Quantitative Estimate Of Drug Likeness（Qed）
0.742