ITCMDBv1
IngredientID 32004

(r)-sakuranetin

C16H14O5

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 1Ingredient: 1Target: 12Links: 13
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
32004
Core Entity Id
38762
Source Entity Count
1
Preferred Name
(r)-sakuranetin
Name En
Pubchem Id
348130
Smiles Canonical
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O
Molecular Formula
C16H14O5
Molecular Weight
286.2830
Inchikey
DJOJDHGQRNZXQQ-UHFFFAOYSA-N
Inchi
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3
Isomeric Smiles
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O
Cas Id
Ob Score
Mol Logp
2.8129
Num H Donors
2
Num H Acceptors
5
Num Rotatable Bonds
2
Drug Likeness
0.8870
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
(R)-Sakuranetin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(r)-sakuranetin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(r)-sakuranetin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
日本樱花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN YING HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tokyo Cherry
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(RS)-Sakuranetin
Role
alias
Source
HERB_v2
Preferred
No
Name
(RS)-Sakuranetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
520-29-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
520-29-6
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL74852
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL74852
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-407228
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC407228
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

日本樱花RI BEN YING HUATokyo Cherry(RS)-Sakuranetin4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one520-29-6CHEMBL74852NSC-407228NSC407228

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN042505
Npass
NPC329203
Tcmid
19158
Pub Chem
348130
Tcmbank
TCMBANKIN036271
Itcmdb Generated
ITX-INGREDIENT-BBCFF8610F19

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3
Mol Wt
286.283
Mol Log P
2.812900000000002
In Ch Ikey
DJOJDHGQRNZXQQ-UHFFFAOYSA-N
Tcm Name
日本樱花
Tcm Name2
RI BEN YING HUA
Mol2 Path
/TCM_database/2007_3d_all/19173.mol2
Reference
1521
Num Hdonors
2
Tcm Name En
Tokyo Cherry
Drug Likeness
0.887
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O
Canonical Smiles
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O
Herb Alias Names
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one520-29-6(RS)-SakuranetinNSC-4072285-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-oneCHEMBL74852NSC4072285-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-chroman-4-one5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
Molecular Formula
C16H14O5
Num Rotatable Bonds
2