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
- 19655
- Core Entity Id
- 25029
- Source Entity Count
- 1
- Preferred Name
- Galloylhamame lose
- Name En
- Pubchem Id
- 129629042
- Smiles Canonical
- C1=C(C=C(C(=C1O)O)O)C(=O)C(=O)C(CO)(C(C(CO)O)O)O
- Molecular Formula
- C13H16O10
- Molecular Weight
- 332.2610
- Inchikey
- CQZAXNSHIGJZHU-XTWCZFFVSA-N
- Inchi
- InChI=1S/C13H16O10/c14-3-8(18)11(21)13(23,4-15)12(22)9(19)5-1-6(16)10(20)7(17)2-5/h1-2,8,11,14-18,20-21,23H,3-4H2/t8-,11-,13-/m1/s1
- Isomeric Smiles
- C1=C(C=C(C(=C1O)O)O)C(=O)C(=O)[C@@](CO)([C@@H]([C@@H](CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -3.0073
- Num H Donors
- 8
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Galloylhamame Lose
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Galloylhamame Lose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Galloylhamame lose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Galloylhamame lose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
galloylhamame lose
Role
preferred
Source
TCMBank
Preferred
Yes
Name
galloylhamamelose
Role
alias
Source
HERB_v2
Preferred
No
Name
galloylhamamelose
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
galloylhamamelose
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027059
Tcmid
24035
Sym Map
SMIT18504
Tcm Id
4213
Pub Chem
129629042
Tcmbank
TCMBANKIN017412
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C13H16O10/c14-3-8(18)11(21)13(23,4-15)12(22)9(19)5-1-6(16)10(20)7(17)2-5/h1-2,8,11,14-18,20-21,23H,3-4H2/t8-,11-,13-/m1/s1
Mol Wt
332.261
Smiles
C1=C(C=C(C(=C1O)O)O)C(=O)C(=O)C(CO)(C(C(CO)O)O)O
Mol Log P
-3.007299999999999
Version
v1,v2
In Ch Ikey
CQZAXNSHIGJZHU-XTWCZFFVSA-N
Suppress
0
Num Hdonors
8
Drug Likeness
0.145
Num Hacceptors
10
Isomeric Smiles
C1=C(C=C(C(=C1O)O)O)C(=O)C(=O)[C@@](CO)([C@@H]([C@@H](CO)O)O)O
Canonical Smiles
C1=C(C=C(C(=C1O)O)O)C(=O)C(=O)C(CO)(C(C(CO)O)O)O
Herb Alias Names
galloylhamamelose
Molecular Weight
332.26 g/mol
Molecular Formula
C13H16O10
Molecular Formula
C13H16O10
Num Rotatable Bonds
7