Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35022
- Core Entity Id
- 42113
- Source Entity Count
- 1
- Preferred Name
- Tetuin
- Name En
- Pubchem Id
- 5321896
- Smiles Canonical
- C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC4C(C(C(C(O4)CO)O)O)O)O
- Molecular Formula
- C21H20O10
- Molecular Weight
- 432.3810
- Inchikey
- WTYYPLMAODUDGW-QOUKUZOOSA-N
- Inchi
- InChI=1S/C21H20O10/c22-8-14-16(25)18(27)19(28)21(30-14)31-20-11(24)7-13-15(17(20)26)10(23)6-12(29-13)9-4-2-1-3-5-9/h1-7,14,16,18-19,21-22,24-28H,8H2/t14-,16-,18+,19-,21+/m1/s1
- Isomeric Smiles
- C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.0499
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tetuin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tetuin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Tetuin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tetuin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
tetuin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
28279-72-3
Role
alias
Source
HERB_v2
Preferred
No
Name
28279-72-3
Role
alias
Source
TCMBank
Preferred
No
Name
28279-72-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-dihydroxy-2-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
A-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1NT0YD
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS040760291
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040760291
Role
alias
Source
HERB_v2
Preferred
No
Name
BAicalein 6-O-
Role
alias
Source
HERB_v2
Preferred
No
Name
BAicalein 6-O-|A-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Baicalein 6-O-glucopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
Baicalein 6-O-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Baicalein 6-O-glucoside
Role
alias
Source
TCMBank
Preferred
No
Name
Baicalein 6-O-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-71277
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-71277
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20498465
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20498465
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-7699
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-7699
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N8352
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N8352
Role
alias
Source
HERB_v2
Preferred
No
Name
MolPort-039-338-739
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC33833997
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-Dihydroxy-2-Phenyl-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5,7-dihydroxy-2-phenyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,7-dihydroxy-2-phenyl-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,7-dihydroxy-2-phenyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-dihydroxy-2-phenyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-dihydroxy-2-phenyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-dihydroxy-2-phenyl-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
28279-72-35,7-dihydroxy-2-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneA-D-glucopyranosideAC1NT0YDAKOS040760291BAicalein 6-O-BAicalein 6-O-|A-D-glucopyranosideBaicalein 6-O-glucopyranosideBaicalein 6-O-glucosideDA-71277DTXSID20498465FS-7699HY-N8352MolPort-039-338-739ZINC338339975,7-Dihydroxy-2-Phenyl-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One5,7-dihydroxy-2-phenyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one5,7-dihydroxy-2-phenyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one5,7-dihydroxy-2-phenyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone5,7-dihydroxy-2-phenyl-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
Cross References
Trusted external identifiers retained for this final record.
Cas
529-43-1
Herb
HBIN046127HBIN011270
Tcmid
21196
Tcmsp
MOL013072
Sym Map
SMIT17924SMIT13770
Tcm Id
23728
Pub Chem
532189622524531
Tcmbank
TCMBANKIN025648TCMBANKIN031128
Etcm Ingredient
Tetuin5,7-dihydroxy-2-phenyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Itcmdb Generated
ITX-INGREDIENT-C171BB142DA5ITX-INGREDIENT-4FB8AF9FFF72
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H20O10/c22-8-14-16(25)18(27)19(28)21(30-14)31-20-11(24)7-13-15(17(20)26)10(23)6-12(29-13)9-4-2-1-3-5-9/h1-7,14,16,18-19,21-22,24-28H,8H2/t14-,16-,18+,19-,21+/m1/s1
Mol Wt
432.381
Smiles
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC4C(C(C(C(O4)CO)O)O)O)O
Mol Log P
0.04989999999999928
Version
v1,v2
In Ch Ikey
WTYYPLMAODUDGW-QOUKUZOOSA-N
Suppress
0
Num Hdonors
6
Drug Likeness
0.331
Num Hacceptors
10
Isomeric Smiles
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Molecule Weight
432.41
Canonical Smiles
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC4C(C(C(C(O4)CO)O)O)O)O
Herb Alias Names
Baicalein 6-O-glucoside28279-72-35,7-dihydroxy-2-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneDTXSID20498465HY-N8352BAicalein 6-O-|A-D-glucopyranosideAKOS040760291FS-7699DA-71277
Molecular Weight
418.090
Molecular Weight
432.4 g/mol
Molecular Formula
C20H18O10
Molecular Formula
C21H20O10
Molecular Formula
C21H20O10
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.340