Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31274
- Core Entity Id
- 37948
- Source Entity Count
- 1
- Preferred Name
- Quercetin-3,7-alpha-l-dirhamnoside
- Name En
- Pubchem Id
- 11972443
- Smiles Canonical
- CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
- Molecular Formula
- C27H30O15
- Molecular Weight
- 594.5220
- Inchikey
- GXLQUHPXGLZNGE-SZGIOHLZSA-N
- Inchi
- InChI=1S/C27H30O15/c1-8-17(31)20(34)22(36)26(38-8)40-11-6-14(30)16-15(7-11)41-24(10-3-4-12(28)13(29)5-10)25(19(16)33)42-27-23(37)21(35)18(32)9(2)39-27/h3-9,17-18,20-23,26-32,34-37H,1-2H3/t8-,9-,17+,18-,20+,21+,22+,23+,26-,27+/m0/s1
- Isomeric Smiles
- C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.0106
- Num H Donors
- 9
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.1610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Quercetin-3,7-alpha-L-dirhamnoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Quercetin-3,7-alpha-l-dirhamnoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Quercetin-3,7-alpha-l-dirhamnoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
quercetin-3,7-alpha-l-dirhamnoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
quercetin-3,7-α-l-dirhamnoside
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
quercetin-3,7-α-l-dirhamnoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041514
Tcmid
1833731881
Pub Chem
11972443
Tcmbank
TCMBANKIN044836
Etcm Ingredient
Quercetin-3,7-alpha-L-dirhamnoside
Itcmdb Generated
ITX-INGREDIENT-6C6997B6ECDF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H30O15/c1-8-17(31)20(34)22(36)26(38-8)40-11-6-14(30)16-15(7-11)41-24(10-3-4-12(28)13(29)5-10)25(19(16)33)42-27-23(37)21(35)18(32)9(2)39-27/h3-9,17-18,20-23,26-32,34-37H,1-2H3/t8-,9-,17+,18-,20+,21+,22+,23+,26-,27+/m0/s1
Mol Wt
594.5220000000004
Smiles
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
Mol Log P
-1.0106
In Ch Ikey
GXLQUHPXGLZNGE-SZGIOHLZSA-N
Mol2 Path
/TCM_database/2003_3d_all/7206.mol2
Reference
6
Num Hdonors
9
Drug Likeness
0.161
Num Hacceptors
15
Isomeric Smiles
C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
Molecular Weight
594.160
Molecular Formula
C27H30O15
Molecular Formula
C27H30O15
Molecular Formula
C27H30O15
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.022
Quantitative Estimate Of Drug Likeness（Qed）
0.161