Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8093
- Core Entity Id
- 12167
- Source Entity Count
- 1
- Preferred Name
- 7,3',5'-trihydroxyflavanone
- Name En
- Pubchem Id
- 12084411
- Smiles Canonical
- C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=CC(=C3)O)O
- Molecular Formula
- C15H12O5
- Molecular Weight
- 272.2560
- Inchikey
- OVSYWZXDPOVKQU-AWEZNQCLSA-N
- Inchi
- InChI=1S/C15H12O5/c16-9-1-2-12-13(19)7-14(20-15(12)6-9)8-3-10(17)5-11(18)4-8/h1-6,14,16-18H,7H2/t14-/m0/s1
- Isomeric Smiles
- C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC(=CC(=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5099
- Num H Donors
- 3
- Num H Acceptors
- 5
- 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
7,3',5'-Trihydroxyflavanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7,3',5'-trihydroxyflavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7,3',5'-trihydroxyflavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7,3',5'-trihydroxyflavanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
中间锦鸡儿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHONG JIAN JIN JI ER
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Intermediate Peashrub
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2S)-2-(3,5-Dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-(3,5-Dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-(3,5-Dihydroxyphenyl)-7-hydroxychroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-(3,5-Dihydroxyphenyl)-7-hydroxychroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(3,5-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(3,5-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
7,3 inverted exclamation marka,5 inverted exclamation marka-Trihydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,3 inverted exclamation marka,5 inverted exclamation marka-Trihydroxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
7,3??,5??-Trihydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,3??,5??-Trihydroxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
7,3a?5a?Trihydroxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
7,3a?5a?Trihydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
847375-46-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
847375-46-6
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4087163
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4087163
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID101149779
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID101149779
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
中间锦鸡儿ZHONG JIAN JIN JI ERIntermediate Peashrub(2S)-2-(3,5-Dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one(S)-2-(3,5-Dihydroxyphenyl)-7-hydroxychroman-4-one4H-1-Benzopyran-4-one, 2-(3,5-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2S)-7,3 inverted exclamation marka,5 inverted exclamation marka-Trihydroxyflavanone7,3??,5??-Trihydroxyflavanone7,3a?5a?Trihydroxyflavanone847375-46-6CHEMBL4087163DTXSID101149779
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012910
Tcmid
21715
Pub Chem
12084411129716126
Tcmbank
TCMBANKIN049509
Etcm Ingredient
7,3',5'-trihydroxyflavanone
Itcmdb Generated
ITX-INGREDIENT-8AE5F36A6AD6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O5/c16-9-1-2-12-13(19)7-14(20-15(12)6-9)8-3-10(17)5-11(18)4-8/h1-6,14,16-18H,7H2/t14-/m0/s1
Mol Wt
272.256
Mol Log P
2.509900000000002
In Ch Ikey
OVSYWZXDPOVKQU-AWEZNQCLSA-N
Tcm Name
中间锦鸡儿
Tcm Name2
ZHONG JIAN JIN JI ER
Mol2 Path
/TCM_database/2007_3d_all/21731.mol2
Reference
2472
Num Hdonors
3
Tcm Name En
Intermediate Peashrub
Drug Likeness
0.742
Num Hacceptors
5
Isomeric Smiles
C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC(=CC(=C3)O)O
Canonical Smiles
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=CC(=C3)O)O
Herb Alias Names
847375-46-64H-1-Benzopyran-4-one, 2-(3,5-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2S)-(2S)-2-(3,5-Dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one(S)-2-(3,5-Dihydroxyphenyl)-7-hydroxychroman-4-one7,3 inverted exclamation marka,5 inverted exclamation marka-Trihydroxyflavanone7,3a?5a?TrihydroxyflavanoneCHEMBL40871637,3??,5??-TrihydroxyflavanoneDTXSID101149779
Molecular Weight
272.070
Molecular Weight
272.25 g/mol
Molecular Formula
C15H12O5
Molecular Formula
C15H12O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.918
Quantitative Estimate Of Drug Likeness（Qed）
0.742