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
- 36141
- Core Entity Id
- 43360
- Source Entity Count
- 1
- Preferred Name
- Uncinoside a
- Name En
- Pubchem Id
- 10022766
- Smiles Canonical
- CC1=CC(=O)C2=C(O1)C(=C(C(=C2O)C)OC3C(C(C(C(O3)CO)O)O)O)C
- Molecular Formula
- C18H22O9
- Molecular Weight
- 382.3650
- Inchikey
- SYRSLDAOMRWYGP-MLTZOPNTSA-N
- Inchi
- InChI=1S/C18H22O9/c1-6-4-9(20)11-12(21)7(2)16(8(3)17(11)25-6)27-18-15(24)14(23)13(22)10(5-19)26-18/h4,10,13-15,18-19,21-24H,5H2,1-3H3/t10-,13-,14+,15-,18+/m1/s1
- Isomeric Smiles
- CC1=CC(=O)C2=C(O1)C(=C(C(=C2O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- -0.3974
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Uncinoside a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Uncinoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
uncinoside a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
48215-55-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
48215-55-0
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2,6,8-trimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2,6,8-trimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2,6,8-trimethylchromone 7-O-beta-D-glucopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL2164950
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2164950
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
48215-55-05-hydroxy-2,6,8-trimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one5-hydroxy-2,6,8-trimethylchromone 7-O-beta-D-glucopyranosideCHEMBL2164950
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047520
Npass
NPC38775
Tcmid
22199
Tcm Id
20841
Pub Chem
10022766
Tcmbank
TCMBANKIN041486
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H22O9/c1-6-4-9(20)11-12(21)7(2)16(8(3)17(11)25-6)27-18-15(24)14(23)13(22)10(5-19)26-18/h4,10,13-15,18-19,21-24H,5H2,1-3H3/t10-,13-,14+,15-,18+/m1/s1
Mol Wt
382.3650000000001
Smiles
CC1=CC(=O)C2=C(O1)C(=C(C(=C2O)C)OC3C(C(C(C(O3)CO)O)O)O)C
Mol Log P
-0.3974400000000005
In Ch Ikey
SYRSLDAOMRWYGP-MLTZOPNTSA-N
Mol2 Path
/TCM_database/2007_3d_all/22215.mol2
Reference
4398
Num Hdonors
5
Drug Likeness
0.478
Num Hacceptors
9
Isomeric Smiles
CC1=CC(=O)C2=C(O1)C(=C(C(=C2O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C
Canonical Smiles
CC1=CC(=O)C2=C(O1)C(=C(C(=C2O)C)OC3C(C(C(C(O3)CO)O)O)O)C
Herb Alias Names
5-hydroxy-2,6,8-trimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one5-hydroxy-2,6,8-trimethyl-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneCHEMBL216495048215-55-0
Molecular Weight
382.4 g/mol
Molecular Formula
C18H22O9
Molecular Formula
C18H22O9
Num Rotatable Bonds
3