Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7700
- Core Entity Id
- 11738
- Source Entity Count
- 1
- Preferred Name
- 6-hydroxyluteolin-7-diglucoside
- Name En
- Pubchem Id
- 59991336
- Smiles Canonical
- C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O)O)O
- Molecular Formula
- C27H30O17
- Molecular Weight
- 626.5200
- Inchikey
- IWVVVMUHPPYDFH-IJTBWITGSA-N
- Inchi
- InChI=1S/C27H30O17/c28-6-15-19(33)22(36)24(38)26(43-15)40-7-16-20(34)23(37)25(39)27(44-16)42-14-5-13-17(21(35)18(14)32)11(31)4-12(41-13)8-1-2-9(29)10(30)3-8/h1-5,15-16,19-20,22-30,32-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
- Isomeric Smiles
- C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.7147
- Num H Donors
- 11
- Num H Acceptors
- 17
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1190
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Hydroxyluteolin-7-diglucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-Hydroxyluteolin-7-diglucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-hydroxyluteolin-7-diglucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-hydroxyluteolin-7-diglucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
阿拉伯婆婆纳
Role
TCM_name
Source
TCMBank
Preferred
No
Name
A LA BO PO PO NA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Iran Speedwell
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
阿拉伯婆婆纳A LA BO PO PO NAIran Speedwell
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012455
Npass
NPC118248
Tcmid
10352
Pub Chem
59991336
Tcmbank
TCMBANKIN037665
Etcm Ingredient
6-Hydroxyluteolin-7-diglucoside
Itcmdb Generated
ITX-INGREDIENT-26FB11B3946E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H30O17/c28-6-15-19(33)22(36)24(38)26(43-15)40-7-16-20(34)23(37)25(39)27(44-16)42-14-5-13-17(21(35)18(14)32)11(31)4-12(41-13)8-1-2-9(29)10(30)3-8/h1-5,15-16,19-20,22-30,32-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
Mol Wt
626.5200000000006
Mol Log P
-2.7147
In Ch Ikey
IWVVVMUHPPYDFH-IJTBWITGSA-N
Tcm Name
阿拉伯婆婆纳
Tcm Name2
A LA BO PO PO NA
Mol2 Path
/TCM_database/2007_3d_all/10353.mol2
Reference
660
Num Hdonors
11
Tcm Name En
Iran Speedwell
Drug Likeness
0.119
Num Hacceptors
17
Isomeric Smiles
C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O)O)O
Canonical Smiles
C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O)O)O
Molecular Weight
626.150
Molecular Formula
C27H30O17
Molecular Formula
C27H30O17
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.001
Quantitative Estimate Of Drug Likeness（Qed）
0.119