IngredientID 30389

Polymannose

C6H12O6

Relationship Network

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Herb: 9Ingredient: 1Target: 12Links: 21

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 30389
Core Entity Id: 36964
Source Entity Count: 1
Preferred Name: Polymannose
Name En
Pubchem Id: 161658
Smiles Canonical: C(C(C(C(C(C=O)O)O)O)O)O
Molecular Formula: C6H12O6
Molecular Weight: 180.1560
Inchikey: GZCGUPFRVQAUEE-KVTDHHQDSA-N
Inchi: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1
Isomeric Smiles: C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O
Cas Id: 30142-85-9
Ob Score: 1.7640
Mol Logp: -3.3788
Num H Donors: 5
Num H Acceptors: 6
Num Rotatable Bonds: 5
Drug Likeness: 0.2820
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Polymannose

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Polymannose

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Polymannose

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Polymannose

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Polymannose

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Polymannose

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

Role

alias

Source

TCMBank

Preferred

Name

(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

Role

alias

Source

itcmdb_public

Preferred

Name

(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

Role

alias

Source

HERB_v2

Preferred

Name

30142-85-9

Role

alias

Source

itcmdb_public

Preferred

Name

30142-85-9

Role

alias

Source

HERB_v2

Preferred

Name

30142-85-9

Role

alias

Source

TCMBank

Preferred

Name

31103-86-3

Role

alias

Source

itcmdb_public

Preferred

Name

31103-86-3

Role

alias

Source

HERB_v2

Preferred

Name

3458-28-4

Role

alias

Source

itcmdb_public

Preferred

Name

3458-28-4

Role

alias

Source

HERB_v2

Preferred

Name

CERC-802

Role

alias

Source

itcmdb_public

Preferred

Name

CERC-802

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:37675

Role

alias

Source

TCMBank

Preferred

Name

D-Mannose polymers

Role

alias

Source

TCMBank

Preferred

Name

Demannose

Role

alias

Source

HERB_v2

Preferred

Name

Demannose

Role

alias

Source

itcmdb_public

Preferred

Name

Mannose homopolymer

Role

alias

Source

TCMBank

Preferred

Name

Mannose, D-

Role

alias

Source

itcmdb_public

Preferred

Name

Mannose, D-

Role

alias

Source

HERB_v2

Preferred

Name

Mannose, D-, polymers

Role

alias

Source

TCMBank

Preferred

Name

PHA4727WTP

Role

alias

Source

itcmdb_public

Preferred

Name

PHA4727WTP

Role

alias

Source

HERB_v2

Preferred

Name

Poly(mannose)

Role

alias

Source

TCMBank

Preferred

Name

ZINC02556396

Role

alias

Source

TCMBank

Preferred

Name

aldehydo-D-manno-hexose

Role

alias

Source

HERB_v2

Preferred

Name

aldehydo-D-manno-hexose

Role

alias

Source

TCMBank

Preferred

Name

aldehydo-D-manno-hexose

Role

alias

Source

itcmdb_public

Preferred

Name

aldehydo-D-mannose

Role

alias

Source

HERB_v2

Preferred

Name

aldehydo-D-mannose

Role

alias

Source

TCMBank

Preferred

Name

aldehydo-D-mannose

Role

alias

Source

itcmdb_public

Preferred

Name

Glo

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

GLO

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(14C)-Glucose

Role

alias

Source

TCMBank

Preferred

Name

(14C)D-Glucose

Role

alias

Source

TCMBank

Preferred

Name

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

Role

alias

Source

HERB_v2

Preferred

Name

(C13)D-Glucose

Role

alias

Source

TCMBank

Preferred

Name

(U-14C)Glucose

Role

alias

Source

TCMBank

Preferred

Name

19030-38-7

Role

alias

Source

TCMBank

Preferred

Name

28823-03-2

Role

alias

Source

TCMBank

Preferred

Name

50-99-7

Role

alias

Source

HERB_v2

Preferred

Name

58367-01-4

Role

alias

Source

itcmdb_public

Preferred

Name

815-92-9

Role

alias

Source

TCMBank

Preferred

Name

9050-36-6

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:42758

Role

alias

Source

TCMBank

Preferred

Name

D(+)-Glucose

Role

alias

Source

HERB_v2

Preferred

Name

D-(U-14C)Glucose

Role

alias

Source

TCMBank

Preferred

Name

D-GLUCOSE IN LINEAR FORM

Role

alias

Source

TCMBank

Preferred

Name

D-Glucose, labeled with carbon-13

Role

alias

Source

TCMBank

Preferred

Name

D-Glucose, labeled with carbon-14

Role

alias

Source

TCMBank

Preferred

Name

D-Glucose, labeled with tritium

Role

alias

Source

TCMBank

Preferred

Name

DL-Glucose

Role

alias

Source

itcmdb_public

Preferred

Name

Dextrose Anhydrous

Role

alias

Source

HERB_v2

Preferred

Name

Dextrose, anhydrous

Role

alias

Source

itcmdb_public

Preferred

Name

EINECS 224-118-9

Role

alias

Source

TCMBank

Preferred

Name

Glucose (C-13)

Role

alias

Source

TCMBank

Preferred

Name

Glucose (C-14)

Role

alias

Source

TCMBank

Preferred

Name

Glucose Anhydrous

Role

alias

Source

HERB_v2

Preferred

Name

ZINC02043211

Role

alias

Source

TCMBank

Preferred

Name

aldehydo-D-gluco-hexose

Role

alias

Source

TCMBank

Preferred

Name

aldehydo-D-glucose

Role

alias

Source

HERB_v2

Preferred

Name

maltodextrin

Role

alias

Source

TCMBank

Preferred

Name

Aldehydo-D-Galactose

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Aldehydo-d-galactose

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

aldehydo-D-galactose

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal

Role

alias

Source

TCMBank

Preferred

Name

26566-61-0

Role

alias

Source

itcmdb_public

Preferred

Name

59-23-4

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:17118

Role

alias

Source

TCMBank

Preferred

Name

D(+)-Galactose

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID0023088

Role

alias

Source

itcmdb_public

Preferred

Name

Galactose [USAN]

Role

alias

Source

HERB_v2

Preferred

Name

X2RN3Q8DNE

Role

alias

Source

HERB_v2

Preferred

Name

aldehydo-D-galacto-hexose

Role

alias

Source

itcmdb_public

Preferred

Name

dl-Galactose

Role

alias

Source

itcmdb_public

Preferred

Aliases

Additional names normalized into the restored final schema.

(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal30142-85-931103-86-33458-28-4CERC-802CHEBI:37675D-Mannose polymersDemannoseMannose homopolymerMannose, D-Mannose, D-, polymersPHA4727WTPPoly(mannose)ZINC02556396aldehydo-D-manno-hexosealdehydo-D-mannoseGlo(14C)-Glucose(14C)D-Glucose(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal(C13)D-Glucose(U-14C)Glucose19030-38-728823-03-250-99-758367-01-4815-92-99050-36-6CHEBI:42758D(+)-GlucoseD-(U-14C)GlucoseD-GLUCOSE IN LINEAR FORMD-Glucose, labeled with carbon-13D-Glucose, labeled with carbon-14D-Glucose, labeled with tritiumDL-GlucoseDextrose AnhydrousDextrose, anhydrousEINECS 224-118-9Glucose (C-13)Glucose (C-14)Glucose AnhydrousZINC02043211aldehydo-D-gluco-hexosealdehydo-D-glucosemaltodextrinAldehydo-D-Galactose(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal26566-61-059-23-4CHEBI:17118D(+)-GalactoseDTXSID0023088Galactose [USAN]X2RN3Q8DNEaldehydo-D-galacto-hexosedl-Galactose

Cross References

Trusted external identifiers retained for this final record.

Cas

30142-85-99050-36-659-23-4

Herb

HBIN040454HBIN027963HBIN015101

Npass

NPC275932

Tcmsp

MOL000051MOL000734MOL002682

Sym Map

SMIT02732SMIT03272SMIT04880

Pub Chem

161658107526123057973037556

Tcmbank

TCMBANKIN013928TCMBANKIN034891TCMBANKIN025459

Etcm Ingredient

Polymannose

Itcmdb Generated

ITX-INGREDIENT-AF3FAB3B3EE3

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1

Mol Wt

180.156

Cas Id

30142-85-9

Smiles

C(C(C(C(C(C=O)O)O)O)O)O

Mol Log P

-3.378799999999999

Version

v1,v2

In Ch Ikey

GZCGUPFRVQAUEE-KVTDHHQDSA-N

Ob Score

1.7641.7644079261.764408

Suppress

Num Hdonors

Drug Likeness

0.282

Num Hacceptors

Isomeric Smiles

C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O

Molecule Weight

180.18

Canonical Smiles

C(C(C(C(C(C=O)O)O)O)O)O

Herb Alias Names

(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal3458-28-4aldehydo-D-mannose31103-86-3Demannosealdehydo-D-manno-hexoseMannose, D-PHA4727WTPCERC-80230142-85-9

Molecular Weight

180.060

Molecular Weight

180.16 g/mol

Molecular Formula

C6H12O6

Molecular Formula

C6H12O6

Molecular Formula

C6H12O6

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.002

Quantitative Estimate Of Drug Likeness（Qed）

0.301