Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17213
- Core Entity Id
- 22302
- Source Entity Count
- 1
- Preferred Name
- Dihydrorobinetin
- Name En
- Pubchem Id
- 20399
- Smiles Canonical
- C1=CC2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C(=C3)O)O)O
- Molecular Formula
- C15H12O7
- Molecular Weight
- 304.2540
- Inchikey
- VSJCDPYIMBSOKN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,14-18,20-21H
- Isomeric Smiles
- C1=CC2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C(=C3)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
- 0.5010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dihydrorobinetin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dihydrorobinetin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dihydrorobinetin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
dihydrorobinetin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3-Dihydrorobinetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Dihydrorobinetin
Role
alias
Source
HERB_v2
Preferred
No
Name
3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4382-33-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
4382-33-6
Role
alias
Source
HERB_v2
Preferred
No
Name
70460-55-8
Role
alias
Source
HERB_v2
Preferred
No
Name
70460-55-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
93432-80-5
Role
alias
Source
HERB_v2
Preferred
No
Name
93432-80-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-59266
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC59266
Role
alias
Source
HERB_v2
Preferred
No
Name
Robinetin, dihydro-
Role
alias
Source
HERB_v2
Preferred
No
Name
Robinetin, dihydro-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,3-Dihydrorobinetin3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one4382-33-670460-55-893432-80-5NSC-59266NSC59266Robinetin, dihydro-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023974
Npass
NPC325028
Tcmid
5701
Pub Chem
20399
Tcmbank
TCMBANKIN041703
Etcm Ingredient
Dihydrorobinetin
Itcmdb Generated
ITX-INGREDIENT-1F02F6F49F2F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,14-18,20-21H
Mol Wt
304.254
Smiles
C1=CC2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C(=C3)O)O)O
Mol Log P
1.1863
In Ch Ikey
VSJCDPYIMBSOKN-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/05702.mol2
Reference
6
Num Hdonors
5
Drug Likeness
0.501
Num Hacceptors
7
Isomeric Smiles
C1=CC2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C(=C3)O)O)O
Canonical Smiles
C1=CC2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C(=C3)O)O)O
Herb Alias Names
2,3-Dihydrorobinetin4382-33-6Robinetin, dihydro-93432-80-5NSC5926670460-55-83,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-oneNSC-592663,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one
Molecular Weight
304.060
Molecular Weight
304.25 g/mol
Molecular Formula
C15H12O7
Molecular Formula
C15H12O7
Molecular Formula
C15H12O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.595
Quantitative Estimate Of Drug Likeness（Qed）
0.501