Relationship Network
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Herb: 7Ingredient: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18454
- Core Entity Id
- 23691
- Source Entity Count
- 1
- Preferred Name
- Eriodictyol-7,3-diglucoside
- Name En
- Pubchem Id
- 5317187
- Smiles Canonical
- C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O
- Molecular Formula
- C27H32O17
- Molecular Weight
- 628.5360
- Inchikey
- DPTVRZXQCBYWIK-MDHDDBBLSA-N
- Inchi
- InChI=1S/C27H32O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,24?,25?,26-,27+/m1/s1
- Isomeric Smiles
- C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -3.5164
- Num H Donors
- 11
- Num H Acceptors
- 17
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eriodictyol-7,3-Diglucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Eriodictyol-7,3-diglucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Eriodictyol-7,3-diglucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Eriodictyol-7,3-diglucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
eriodictyol-7,3-diglucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-4H-1-benzopyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2,3-dihydrochromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSV7H
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-4H-1-benzopyran-4-one2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2,3-dihydrochromen-4-oneAC1NSV7H
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025594
Npass
NPC44659
Tcmid
7280
Sym Map
SMIT15298
Pub Chem
5317187
Tcmbank
TCMBANKIN016775
Etcm Ingredient
Eriodictyol-7,3-diglucoside
Itcmdb Generated
ITX-INGREDIENT-192D6D177159
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C27H32O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,24?,25?,26-,27+/m1/s1
Mol Wt
628.5360000000004
Smiles
C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O
Mol Log P
-3.516399999999997
Version
v1,v2
In Ch Ikey
DPTVRZXQCBYWIK-MDHDDBBLSA-N
Suppress
0
Num Hdonors
11
Drug Likeness
0.133
Num Hacceptors
17
Isomeric Smiles
C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
Canonical Smiles
C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O
Molecular Weight
628.160
Molecular Weight
628.5 g/mol
Molecule Formula
C27H32O17
Molecular Formula
C27H32O17
Molecular Formula
C27H32O17
Molecular Formula
C27H32O17
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.000
Quantitative Estimate Of Drug Likeness（Qed）
0.133