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: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2644
- Core Entity Id
- 6127
- Source Entity Count
- 1
- Preferred Name
- (2r)-eriodictyol-7,4'-di-o-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 11621423
- Smiles Canonical
- C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O
- Molecular Formula
- C27H32O16
- Molecular Weight
- 612.5370
- Inchikey
- JMCJRHWFANWUIM-DWUMQEFNSA-N
- Inchi
- InChI=1S/C27H32O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-15(40-16(19)5-10)9-1-2-14(11(30)3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-5,15,17-18,20-31,33-38H,6-8H2/t15-,17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
- Isomeric Smiles
- C1[C@@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.8383
- Num H Donors
- 10
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R)-Eriodictyol-7,4'-di-O--beta-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2r)-eriodictyol-7,4'-di-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2r)-eriodictyol-7,4'-di-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(2R)-Eriodictyol-7,4'-di-O--beta-D-glucopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006542
Tcmid
7279
Sym Map
SMIT15297
Pub Chem
11621423
Etcm Ingredient
(2R)-Eriodictyol-7,4'-di-O--beta-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-3E704488B470
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H32O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-15(40-16(19)5-10)9-1-2-14(11(30)3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-5,15,17-18,20-31,33-38H,6-8H2/t15-,17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
Mol Wt
612.5370000000005
Mol Log P
-2.838299999999998
In Ch Ikey
JMCJRHWFANWUIM-DWUMQEFNSA-N
Num Hdonors
10
Drug Likeness
0.151
Num Hacceptors
16
Isomeric Smiles
C1[C@@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
Canonical Smiles
C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O
Molecular Weight
612.170
Molecular Formula
C27H32O16
Molecular Formula
C27H32O16
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.151