Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7905
- Core Entity Id
- 11960
- Source Entity Count
- 1
- Preferred Name
- 6-o-methylscandoside methyl ester
- Name En
- Pubchem Id
- 162848640
- Smiles Canonical
- COC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CO
- Molecular Formula
- C19H28O10
- Molecular Weight
- 416.1700
- Inchikey
- XJZRHAMUBWIJEV-FUIAOSIISA-N
- Inchi
- InChI=1S/C18H26O11/c1-25-9-3-7(4-19)11-12(9)8(16(24)26-2)6-27-17(11)29-18-15(23)14(22)13(21)10(5-20)28-18/h3,6,9-15,17-23H,4-5H2,1-2H3/t9-,10-,11-,12+,13-,14+,15-,17+,18+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.9000
- Num H Donors
- 5
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 164.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-O-Methylscandoside Methyl Ester
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
6-O-Methylscandoside Methyl Ester
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-O-Methylscandoside methyl ester
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-O-Methylscandoside methyl ester
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-o-methylscandoside methyl ester
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-o-methylscandoside methyl ester
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
栀子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHI ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cape Jasmine Fruit
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
6- O- Methylscandoside Methyl Ester
Role
alias
Source
HERB_v2
Preferred
No
Name
6- O- Methylscandoside Methyl Ester
Role
alias
Source
TCMBank
Preferred
No
Name
6- O- Methylscandoside Methyl Ester
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
栀子ZHI ZICape Jasmine Fruit6- O- Methylscandoside Methyl Ester
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012699
Tcmid
1471440206
Sym Map
SMIT16708
Tcmbank
TCMBANKIN039453
Etcm Ingredient
6-O-Methylscandoside methyl ester
Itcmdb Generated
ITX-INGREDIENT-C588F1C1E872
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Tcm Name
栀子
Tcm Name2
ZHI ZI
Mol2 Path
/TCM_database/2007_3d_all/14722.mol2
Reference
4408
Tcm Name En
Cape Jasmine Fruit
Herb Alias Names
6- O- Methylscandoside Methyl Ester
Molecular Weight
416.170
Molecular Formula
C19H28O10
Fda Maximum Daily Dose (Fdamdd)
0.078
Quantitative Estimate Of Drug Likeness（Qed）
0.200