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
- 6233
- Core Entity Id
- 10109
- Source Entity Count
- 1
- Preferred Name
- 4'-methyltectorigenin 7-glucoside
- Name En
- Pubchem Id
- 10457679
- Smiles Canonical
- COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OC4C(C(C(C(O4)CO)O)O)O
- Molecular Formula
- C23H24O11
- Molecular Weight
- 476.4340
- Inchikey
- XKNZYDKRYPYTHS-IJLXDYNCSA-N
- Inchi
- InChI=1S/C23H24O11/c1-30-11-5-3-10(4-6-11)12-9-32-13-7-14(22(31-2)19(27)16(13)17(12)25)33-23-21(29)20(28)18(26)15(8-24)34-23/h3-7,9,15,18,20-21,23-24,26-29H,8H2,1-2H3/t15-,18-,20+,21-,23+/m1/s1
- Isomeric Smiles
- COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
- Cas Id
- Ob Score
- 24.0700
- Mol Logp
- 0.3615
- Num H Donors
- 5
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4'-Methyltectorigenin 7-Glucoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4'-Methyltectorigenin 7-Glucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4'-Methyltectorigenin 7-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4'-methyltectorigenin 7-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4'-methyltectorigenin 7-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
埃及种植鸢尾
Role
TCM_name
Source
TCMBank
Preferred
No
Name
AI JI ZHONG ZHI YUAN WEI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Egypt Planted Iris
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
埃及种植鸢尾AI JI ZHONG ZHI YUAN WEIEgypt Planted Iris
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010722
Npass
NPC305032
Tcmid
1116914732
Tcmsp
MOL011792
Sym Map
SMIT12644
Pub Chem
10457679
Tcmbank
TCMBANKIN007804
Itcmdb Generated
ITX-INGREDIENT-020671E9C9E6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C23H24O11/c1-30-11-5-3-10(4-6-11)12-9-32-13-7-14(22(31-2)19(27)16(13)17(12)25)33-23-21(29)20(28)18(26)15(8-24)34-23/h3-7,9,15,18,20-21,23-24,26-29H,8H2,1-2H3/t15-,18-,20+,21-,23+/m1/s1
Mol Wt
476.4340000000001
Mol Log P
0.3614999999999993
Version
v1,v2
In Ch Ikey
XKNZYDKRYPYTHS-IJLXDYNCSA-N
Ob Score
24.0724.07021669
Suppress
0
Tcm Name
埃及种植鸢尾
Tcm Name2
AI JI ZHONG ZHI YUAN WEI
Mol2 Path
/TCM_database/2007_3d_all/14740.mol2
Reference
1880
Num Hdonors
5
Tcm Name En
Egypt Planted Iris
Drug Likeness
0.333
Num Hacceptors
11
Isomeric Smiles
COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Molecule Weight
476.47
Canonical Smiles
COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OC4C(C(C(C(O4)CO)O)O)O
Molecular Formula
C23H24O11
Num Rotatable Bonds
6