IngredientID 17181

Dihydromorin

C15H12O7

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Herb: 5Ingredient: 1Target: 5Links: 10
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
17181
Core Entity Id
22268
Source Entity Count
1
Preferred Name
Dihydromorin
Name En
Pubchem Id
362637
Smiles Canonical
C1=CC(=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Molecular Formula
C15H12O7
Molecular Weight
304.2540
Inchikey
QIWOFDHUQPJCJF-LSDHHAIUSA-N
Inchi
InChI=1S/C15H12O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,14-19,21H/t14-,15+/m0/s1
Isomeric Smiles
C1=CC(=C(C=C1O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O
Cas Id
Ob Score
Mol Logp
1.1863
Num H Donors
5
Num H Acceptors
7
Num Rotatable Bonds
1
Drug Likeness
0.5350
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Dihydromorin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dihydromorin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dihydromorin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dihydromorin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
dihydromorin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-Dihydromorin
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R)-2-(2,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R)-2-(2,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R)-2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R)-2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R)-2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R)-5,7,2',4'-tetrahydroxyflavanonol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R)-5,7,2',4'-tetrahydroxyflavanonol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R)-5,7,2',4'-tetrahydroxyflavanonol
Role
alias
Source
TCMBank
Preferred
No
Name
18422-83-8
Role
alias
Source
HERB_v2
Preferred
No
Name
18422-83-8
Role
alias
Source
TCMBank
Preferred
No
Name
18422-83-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NUQPG
Role
alias
Source
TCMBank
Preferred
No
Name
AJ-27234
Role
alias
Source
TCMBank
Preferred
No
Name
AK104268
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS022184778
Role
alias
Source
TCMBank
Preferred
No
Name
BG00331956
Role
alias
Source
TCMBank
Preferred
No
Name
BHC9FB8RFH
Role
alias
Source
itcmdb_public
Preferred
No
Name
BHC9FB8RFH
Role
alias
Source
HERB_v2
Preferred
No
Name
DIHYDROMORIN
Role
alias
Source
TCMBank
Preferred
No
Name
Dihydromorin, (+)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavanone, 2',3,4',5,7-pentahydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavanone, 2',3,4',5,7-pentahydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
MolPort-035-683-152
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL6819045
Role
alias
Source
TCMBank
Preferred
No
Name
ST24033977
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC1573788
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(+)-Dihydromorin(2R,3R)-2-(2,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one(2R,3R)-2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one(2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one(2R,3R)-5,7,2',4'-tetrahydroxyflavanonol18422-83-84H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-AC1NUQPGAJ-27234AK104268AKOS022184778BG00331956BHC9FB8RFHDihydromorin, (+)-Flavanone, 2',3,4',5,7-pentahydroxy-MolPort-035-683-152SCHEMBL6819045ST24033977ZINC1573788

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN023931
Npass
NPC49130
Tcmid
5678
Sym Map
SMIT01381
Tcm Id
4880
Pub Chem
3626375458714
Tcmbank
TCMBANKIN031458
Etcm Ingredient
Dihydromorin
Itcmdb Generated
ITX-INGREDIENT-6A8DE65A1DF7

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C15H12O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,14-19,21H/t14-,15+/m0/s1
Mol Wt
304.254
Smiles
C1=CC(=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Mol Log P
1.1863
Version
v1,v2
In Ch Ikey
QIWOFDHUQPJCJF-LSDHHAIUSA-N
Suppress
0
Num Hdonors
5
Drug Likeness
0.535
Num Hacceptors
7
Isomeric Smiles
C1=CC(=C(C=C1O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O
Canonical Smiles
C1=CC(=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Herb Alias Names
18422-83-8(2R,3R)-2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one(+)-DihydromorinDihydromorin, (+)-BHC9FB8RFH(2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-oneFlavanone, 2',3,4',5,7-pentahydroxy-(2R,3R)-5,7,2',4'-tetrahydroxyflavanonol(2R,3R)-2-(2,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one
Molecular Weight
304.060
Molecular Weight
304.25 g/mol
Molecule Formula
C15H12O7
Molecular Formula
C15H12O7
Molecular Formula
C15H12O7
Molecular Formula
C15H12O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.568
Quantitative Estimate Of Drug Likeness(Qed)
0.536