Relationship Network
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Herb: 3Ingredient: 1Target: 3Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2520
- Core Entity Id
- 5988
- Source Entity Count
- 1
- Preferred Name
- (2r,3 r)-3,7-dihydroxyflavanone
- Name En
- Pubchem Id
- 14730799
- Smiles Canonical
- C1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=C(C=C3)O)O
- Molecular Formula
- C15H12O4
- Molecular Weight
- 256.2570
- Inchikey
- LVCUVLHYCYWHDY-LSDHHAIUSA-N
- Inchi
- InChI=1S/C15H12O4/c16-10-6-7-11-12(8-10)19-15(14(18)13(11)17)9-4-2-1-3-5-9/h1-8,14-16,18H/t14-,15+/m0/s1
- Isomeric Smiles
- C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(O2)C=C(C=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.0695
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8190
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R,3 R)-3,7-Dihydroxyflavanone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2R,3 R)-3,7-Dihydroxyflavanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R,3 R)-3,7-dihydroxyflavanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3R)-3,7-dihydroxyflavanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2r,3 r)-3,7-dihydroxyflavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2r,3 r)-3,7-dihydroxyflavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2R,3R)-3,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R)-3,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R)-3,7-dihydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R)-3,7-dihydroxyflavanone
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R)-3,7-dihydroxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL252667
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL252667
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3R)-3,7-dihydroxyflavanone(2R,3R)-3,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-oneCHEMBL252667
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006405
Npass
NPC148011
Tcmid
4172942005
Sym Map
SMIT19754
Pub Chem
14730799
Tcmbank
TCMBANKIN028284
Etcm Ingredient
(2R,3R)-3,7-dihydroxyflavanone
Itcmdb Generated
ITX-INGREDIENT-9C0930A23979ITX-INGREDIENT-ACDF7D030E3D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H12O4/c16-10-6-7-11-12(8-10)19-15(14(18)13(11)17)9-4-2-1-3-5-9/h1-8,14-16,18H/t14-,15+/m0/s1
Mol Wt
256.2569999999999
Smiles
C1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=C(C=C3)O)O
Mol Log P
2.069500000000001
Version
v2
In Ch Ikey
LVCUVLHYCYWHDY-LSDHHAIUSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.819
Num Hacceptors
4
Isomeric Smiles
C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(O2)C=C(C=C3)O)O
Canonical Smiles
C1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=C(C=C3)O)O
Herb Alias Names
(2R,3R)-3,7-dihydroxyflavanoneCHEMBL252667(2R,3R)-3,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular Weight
256.070
Molecular Weight
256.25 g/mol
Molecular Formula
C15H12O4
Molecular Formula
C15H12O4
Molecular Formula
C15H12O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.309
Quantitative Estimate Of Drug Likeness（Qed）
0.820