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
- 2868
- Core Entity Id
- 6378
- Source Entity Count
- 1
- Preferred Name
- (2s)-eriodictyol-5-o-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 101844291
- Smiles Canonical
- C1C(OC2=C(C1=O)C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O
- Molecular Formula
- C21H22O11
- Molecular Weight
- 450.3960
- Inchikey
- DMUFTHUNUKRXSC-ITSUVCJSSA-N
- Inchi
- InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-15-5-9(23)4-14-17(15)12(26)6-13(30-14)8-1-2-10(24)11(25)3-8/h1-5,13,16,18-25,27-29H,6-7H2/t13-,16+,18+,19-,20+,21+/m0/s1
- Isomeric Smiles
- C1[C@H](OC2=C(C1=O)C(=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.3114
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2s)-eriodictyol-5-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s)-eriodictyol-5-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006802
Npass
NPC75251
Tcmid
41169
Pub Chem
101844291
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-15-5-9(23)4-14-17(15)12(26)6-13(30-14)8-1-2-10(24)11(25)3-8/h1-5,13,16,18-25,27-29H,6-7H2/t13-,16+,18+,19-,20+,21+/m0/s1
Mol Wt
450.3960000000002
Mol Log P
-0.3114000000000003
In Ch Ikey
DMUFTHUNUKRXSC-ITSUVCJSSA-N
Num Hdonors
7
Drug Likeness
0.303
Num Hacceptors
11
Isomeric Smiles
C1[C@H](OC2=C(C1=O)C(=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O
Canonical Smiles
C1C(OC2=C(C1=O)C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O
Molecular Formula
C21H22O11
Num Rotatable Bonds
4