ITCMDBv1
IngredientID 13966

Cedeodarin

C16H14O7

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Herb: 1Ingredient: 1Target: 2Links: 3
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
13966
Core Entity Id
18691
Source Entity Count
1
Preferred Name
Cedeodarin
Name En
Pubchem Id
14032963
Smiles Canonical
CC1=C(C2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C=C3)O)O)O
Molecular Formula
C16H14O7
Molecular Weight
318.2810
Inchikey
KPCWWZLBHGSXPW-JKSUJKDBSA-N
Inchi
InChI=1S/C16H14O7/c1-6-9(18)5-11-12(13(6)20)14(21)15(22)16(23-11)7-2-3-8(17)10(19)4-7/h2-5,15-20,22H,1H3/t15-,16+/m0/s1
Isomeric Smiles
CC1=C(C2=C(C=C1O)O[C@@H]([C@H](C2=O)O)C3=CC(=C(C=C3)O)O)O
Cas Id
Ob Score
Mol Logp
1.4947
Num H Donors
5
Num H Acceptors
7
Num Rotatable Bonds
1
Drug Likeness
0.5040
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Cedeodarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cedeodarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cedeodarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
31076-39-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
31076-39-8
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-6-methyl-, (2R,3R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-6-methyl-, (2R,3R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Methyldihydroquercetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Methyldihydroquercetin
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040761475
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040761475
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4471098
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4471098
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavanone, 3,3',4',5,7-pentahydroxy-6-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavanone, 3,3',4',5,7-pentahydroxy-6-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3560
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3560
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL17157085
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL17157085
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one31076-39-84H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-6-methyl-, (2R,3R)-6-MethyldihydroquercetinAKOS040761475CHEMBL4471098Flavanone, 3,3',4',5,7-pentahydroxy-6-methyl-HY-N3560SCHEMBL17157085

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN020000
Tcmid
32797
Pub Chem
14032963182026
Tcmbank
TCMBANKIN007766

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C16H14O7/c1-6-9(18)5-11-12(13(6)20)14(21)15(22)16(23-11)7-2-3-8(17)10(19)4-7/h2-5,15-20,22H,1H3/t15-,16+/m0/s1
Mol Wt
318.281
Smiles
CC1=C(C2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C=C3)O)O)O
Mol Log P
1.49472
In Ch Ikey
KPCWWZLBHGSXPW-JKSUJKDBSA-N
Num Hdonors
5
Drug Likeness
0.504
Num Hacceptors
7
Isomeric Smiles
CC1=C(C2=C(C=C1O)O[C@@H]([C@H](C2=O)O)C3=CC(=C(C=C3)O)O)O
Canonical Smiles
CC1=C(C2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C=C3)O)O)O
Herb Alias Names
31076-39-8(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-6-methyl-, (2R,3R)-6-MethyldihydroquercetinFlavanone, 3,3',4',5,7-pentahydroxy-6-methyl-CHEMBL4471098SCHEMBL17157085HY-N3560AKOS040761475
Molecular Weight
318.28 g/mol
Molecular Formula
C16H14O7
Molecular Formula
C16H14O7
Num Rotatable Bonds
1