Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2874
- Core Entity Id
- 6385
- Source Entity Count
- 1
- Preferred Name
- (2s)-homoeriodictyol7,4'-di-o-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 11643048
- Smiles Canonical
- COC1=C(C=CC(=C1)C2CC(=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
- Molecular Formula
- C28H34O16
- Molecular Weight
- 626.5640
- Inchikey
- LDACQRLKWKLUEW-NJURIWNDSA-N
- Inchi
- InChI=1S/C28H34O16/c1-39-16-4-10(2-3-14(16)42-28-26(38)24(36)22(34)19(9-30)44-28)15-7-13(32)20-12(31)5-11(6-17(20)41-15)40-27-25(37)23(35)21(33)18(8-29)43-27/h2-6,15,18-19,21-31,33-38H,7-9H2,1H3/t15-,18+,19+,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1
- Isomeric Smiles
- COC1=C(C=CC(=C1)[C@@H]2CC(=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
- Cas Id
- Ob Score
- Mol Logp
- -2.5353
- Num H Donors
- 9
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S)-Homoeriodictyol 7,4'-di-O--beta-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2s)-homoeriodictyol7,4'-di-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s)-homoeriodictyol7,4'-di-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(2S)-Homoeriodictyol 7,4'-di-O--beta-D-glucopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006811
Tcmid
9604
Sym Map
SMIT15775
Pub Chem
11643048
Etcm Ingredient
(2S)-Homoeriodictyol 7,4'-di-O--beta-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-94C3FDDDF482
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H34O16/c1-39-16-4-10(2-3-14(16)42-28-26(38)24(36)22(34)19(9-30)44-28)15-7-13(32)20-12(31)5-11(6-17(20)41-15)40-27-25(37)23(35)21(33)18(8-29)43-27/h2-6,15,18-19,21-31,33-38H,7-9H2,1H3/t15-,18+,19+,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1
Mol Wt
626.5640000000003
Mol Log P
-2.535299999999998
In Ch Ikey
LDACQRLKWKLUEW-NJURIWNDSA-N
Num Hdonors
9
Drug Likeness
0.146
Num Hacceptors
16
Isomeric Smiles
COC1=C(C=CC(=C1)[C@@H]2CC(=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
Canonical Smiles
COC1=C(C=CC(=C1)C2CC(=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
Molecular Weight
626.180
Molecular Formula
C28H34O16
Molecular Formula
C28H34O16
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.002
Quantitative Estimate Of Drug Likeness（Qed）
0.146