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
- 25551
- Core Entity Id
- 31596
- Source Entity Count
- 1
- Preferred Name
- Maltol-(6-o-acetyl)-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 44571494
- Smiles Canonical
- CC(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)O
- Molecular Formula
- C14H18O9
- Molecular Weight
- 330.2890
- Inchikey
- GFKQVLKFPJGJEP-LPUQOGTASA-N
- Inchi
- InChI=1S/C14H18O9/c1-5(16)10-7(18)2-6(17)3-8(10)22-14-13(21)12(20)11(19)9(4-15)23-14/h2-3,9,11-15,17-21H,4H2,1H3/t9-,11-,12+,13-,14+/m1/s1
- Isomeric Smiles
- CC(=O)C1=C(C=C(C=C1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.5209
- Num H Donors
- 6
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Maltol-(6-o-acetyl)-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Maltol-(6-o-acetyl)-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-(2,4-dihydroxy-6-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenyl)ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2,4-dihydroxy-6-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenyl)ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50256077
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50256077
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL482066
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL482066
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-(2,4-dihydroxy-6-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenyl)ethanoneBDBM50256077CHEMBL482066
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034354
Tcmid
1344622318
Pub Chem
44571494
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H18O9/c1-5(16)10-7(18)2-6(17)3-8(10)22-14-13(21)12(20)11(19)9(4-15)23-14/h2-3,9,11-15,17-21H,4H2,1H3/t9-,11-,12+,13-,14+/m1/s1
Mol Wt
330.289
Mol Log P
-1.5209
In Ch Ikey
GFKQVLKFPJGJEP-LPUQOGTASA-N
Num Hdonors
6
Drug Likeness
0.361
Num Hacceptors
9
Isomeric Smiles
CC(=O)C1=C(C=C(C=C1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
Canonical Smiles
CC(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)O
Herb Alias Names
CHEMBL482066BDBM502560771-(2,4-dihydroxy-6-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenyl)ethanone
Molecular Formula
C14H18O9
Num Rotatable Bonds
4