IngredientID 33005

Sedoheptulose

C7H14O7

Relationship Network

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Herb: 9Ingredient: 1Target: 3Links: 12

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 33005
Core Entity Id: 39878
Source Entity Count: 1
Preferred Name: Sedoheptulose
Name En
Pubchem Id: 102926
Smiles Canonical: C(C(C(C(C(C(=O)CO)O)O)O)O)O
Molecular Formula: C7H14O7
Molecular Weight: 210.1820
Inchikey: HSNZZMHEPUFJNZ-SHUUEZRQSA-N
Inchi: InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2/t3-,5-,6-,7-/m1/s1
Isomeric Smiles: C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O
Cas Id
Ob Score: 22.2244
Mol Logp: -4.0163
Num H Donors: 6
Num H Acceptors: 7
Num Rotatable Bonds: 6
Drug Likeness: 0.2620
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Sedoheptulose

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

D-Sedoheptulose

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

D-sedoheptulose

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Sedoheptulose

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Sedoheptulose

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Sedoheptulose

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Sedoheptulose

Role

preferred

Source

TCMBank

Preferred

Yes

Name

番木瓜

Role

TCM_name

Source

TCMBank

Preferred

Name

FAN MU GUA

Role

TCM_name2

Source

TCMBank

Preferred

Name

Papaya Fruit

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one

Role

alias

Source

TCMBank

Preferred

Name

(3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one

Role

alias

Source

itcmdb_public

Preferred

Name

(3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one

Role

alias

Source

HERB_v2

Preferred

Name

2,7-Anhydro-

Role

alias

Source

SymMap_v2

Preferred

Name

2,7-Anhydro-

Role

alias

Source

TCMBank

Preferred

Name

3019-74-7

Role

alias

Source

TCMBank

Preferred

Name

3019-74-7

Role

alias

Source

HERB_v2

Preferred

Name

3019-74-7

Role

alias

Source

itcmdb_public

Preferred

Name

40A0W1XJ6X

Role

alias

Source

TCMBank

Preferred

Name

40A0W1XJ6X

Role

alias

Source

HERB_v2

Preferred

Name

40A0W1XJ6X

Role

alias

Source

itcmdb_public

Preferred

Name

A-D-altro-heptulopyranose

Role

alias

Source

SymMap_v2

Preferred

Name

A-D-altro-heptulopyranose

Role

alias

Source

TCMBank

Preferred

Name

AC1NUSHL

Role

alias

Source

TCMBank

Preferred

Name

AKOS024319163

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS024319163

Role

alias

Source

TCMBank

Preferred

Name

B7D9656A-970A-4034-801E-AA7465E3007F

Role

alias

Source

SymMap_v2

Preferred

Name

B7D9656A-970A-4034-801E-AA7465E3007F

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:16802

Role

alias

Source

TCMBank

Preferred

Name

CTK8G3083

Role

alias

Source

SymMap_v2

Preferred

Name

CTK8G3083

Role

alias

Source

TCMBank

Preferred

Name

D-Altro-2-heptulose

Role

alias

Source

itcmdb_public

Preferred

Name

D-Altro-2-heptulose

Role

alias

Source

TCMBank

Preferred

Name

D-Altro-2-heptulose

Role

alias

Source

HERB_v2

Preferred

Name

D-Sedoheptulose, >=95% (TLC)

Role

alias

Source

TCMBank

Preferred

Name

D-altro-hept-2-ulose

Role

alias

Source

itcmdb_public

Preferred

Name

D-altro-hept-2-ulose

Role

alias

Source

HERB_v2

Preferred

Name

D-altro-hept-2-ulose

Role

alias

Source

TCMBank

Preferred

Name

D-altroheptulose

Role

alias

Source

itcmdb_public

Preferred

Name

D-altroheptulose

Role

alias

Source

HERB_v2

Preferred

Name

D-sedoheptulose

Role

alias

Source

itcmdb_public

Preferred

Name

D-sedoheptulose

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 221-166-2

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 221-166-2

Role

alias

Source

itcmdb_public

Preferred

Name

Galacto-heptulose

Role

alias

Source

HERB_v2

Preferred

Name

Galacto-heptulose

Role

alias

Source

itcmdb_public

Preferred

Name

L-Galactoheptulos

Role

alias

Source

TCMBank

Preferred

Name

MFCD00150523

Role

alias

Source

TCMBank

Preferred

Name

MFCD00150523

Role

alias

Source

SymMap_v2

Preferred

Name

SCHEMBL119427

Role

alias

Source

TCMBank

Preferred

Name

SEDOHEPTULOSAN HYDRATE

Role

alias

Source

TCMBank

Preferred

Name

SEDOHEPTULOSAN HYDRATE

Role

alias

Source

SymMap_v2

Preferred

Name

SEDOHEPTULOSAN MONOHYDRATE

Role

alias

Source

SymMap_v2

Preferred

Name

SEDOHEPTULOSAN MONOHYDRATE

Role

alias

Source

TCMBank

Preferred

Name

Sedoheptulose

Role

alias

Source

TCMBank

Preferred

Name

Sedoheptulose anhydride monohydrate

Role

alias

Source

TCMBank

Preferred

Name

Sedoheptulose anhydride monohydrate

Role

alias

Source

SymMap_v2

Preferred

Name

UNII-40A0W1XJ6X

Role

alias

Source

TCMBank

Preferred

Name

ZINC8579422

Role

alias

Source

TCMBank

Preferred

Name

altro-Heptulose

Role

alias

Source

TCMBank

Preferred

Name

d-mannoheptulose

Role

alias

Source

TCMBank

Preferred

Name

l-galactoheptulose

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

D-Sedoheptulose番木瓜FAN MU GUAPapaya Fruit(3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one2,7-Anhydro-3019-74-740A0W1XJ6XA-D-altro-heptulopyranoseAC1NUSHLAKOS024319163B7D9656A-970A-4034-801E-AA7465E3007FCHEBI:16802CTK8G3083D-Altro-2-heptuloseD-Sedoheptulose, >=95% (TLC)D-altro-hept-2-uloseD-altroheptuloseEINECS 221-166-2Galacto-heptuloseL-GalactoheptulosMFCD00150523SCHEMBL119427SEDOHEPTULOSAN HYDRATESEDOHEPTULOSAN MONOHYDRATESedoheptulose anhydride monohydrateUNII-40A0W1XJ6XZINC8579422altro-Heptulosed-mannoheptulosel-galactoheptulose

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN024518HBIN033045HBIN043612

Npass

NPC71649

Tcmid

19635

Sym Map

SMIT01615

Tcm Id

1048

Pub Chem

102926545987972941451

Tcmbank

TCMBANKIN038566TCMBANKIN057935

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2/t3-,5-,6-,7-/m1/s1

Mol Wt

210.182

Smiles

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

Mol Log P

-4.016299999999998

Version

v1,v2

In Ch Ikey

HSNZZMHEPUFJNZ-SHUUEZRQSA-N

Ob Score

22.224397722.224398

Suppress

Tcm Name

番木瓜

Tcm Name2

FAN MU GUA

Mol2 Path

/TCM_database/2007_3d_all/19650.mol2

Reference

660

Num Hdonors

Tcm Name En

Papaya Fruit

Drug Likeness

0.262

Num Hacceptors

Isomeric Smiles

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

Molecule Weight

210.21

Canonical Smiles

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

Herb Alias Names

D-Altro-2-heptuloseD-sedoheptulose3019-74-7(3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-oneD-altro-hept-2-uloseD-altroheptuloseGalacto-heptulose40A0W1XJ6XEINECS 221-166-2

Molecular Weight

210.18 g/mol

Molecule Formula

C7H14O7

Molecular Formula

C7H14O7

Molecular Formula

C7H14O7

Num Rotatable Bonds