Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Meta-analysis: 12Target: 4Links: 28
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16857
- Core Entity Id
- 21906
- Source Entity Count
- 1
- Preferred Name
- Dextrin
- Name En
- Pubchem Id
- 62698
- Smiles Canonical
- C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O
- Molecular Formula
- C18H32O16
- Molecular Weight
- 504.4380
- Inchikey
- FYGDTMLNYKFZSV-MRCIVHHJSA-N
- Inchi
- InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17?,18?/m1/s1
- Isomeric Smiles
- C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O
- Cas Id
- 9004-53-9
- Ob Score
- 11.4750
- Mol Logp
- -7.5730
- Num H Donors
- 11
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dextrin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dextrin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dextrin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
dextrin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
9004-53-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
9004-53-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Caloreen
Role
alias
Source
itcmdb_public
Preferred
No
Name
Caloreen
Role
alias
Source
HERB_v2
Preferred
No
Name
Corn dextrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Corn dextrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Dextrid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dextrid
Role
alias
Source
HERB_v2
Preferred
No
Name
Dextrin 3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dextrin 3
Role
alias
Source
HERB_v2
Preferred
No
Name
Dextrina Bianca
Role
alias
Source
HERB_v2
Preferred
No
Name
Dextrina Bianca
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dextrins
Role
alias
Source
HERB_v2
Preferred
No
Name
Dextrins
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fortodex
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fortodex
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol9004-53-9CaloreenCorn dextrinDextridDextrin 3Dextrina BiancaDextrinsFortodex
Cross References
Trusted external identifiers retained for this final record.
Cas
9004-53-9
Herb
HBIN023508
Npass
NPC139037
Tcmid
2375925140
Tcmsp
MOL010047
Sym Map
SMIT11120SMIT18783
Pub Chem
62698
Etcm Ingredient
dextrin
Itcmdb Generated
ITX-INGREDIENT-08392BC7D743
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17?,18?/m1/s1
Mol Wt
504.4380000000002
Cas Id
9004-53-9
Mol Log P
-7.572999999999989
Version
v1,v2
In Ch Ikey
FYGDTMLNYKFZSV-MRCIVHHJSA-N
Ob Score
11.47511.47545727
Suppress
0
Num Hdonors
11
Drug Likeness
0.154
Num Hacceptors
16
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O
Molecule Weight
504.5
Canonical Smiles
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O
Herb Alias Names
9004-53-9(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolDextridDextrinsFortodexCorn dextrinDextrina BiancaDextrin 3Caloreen
Molecular Weight
504.170
Molecular Formula
C18H32O16
Molecular Formula
C18H32O16
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.000
Quantitative Estimate Of Drug Likeness（Qed）
0.154