IngredientID 14016

Cellulose

C12H22O11

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab

Herb: 12Ingredient: 1Meta-analysis: 2Target: 5Links: 21

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 14016
Core Entity Id: 18748
Source Entity Count: 1
Preferred Name: Cellulose
Name En
Pubchem Id: 16211032
Smiles Canonical: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
Molecular Formula: C12H22O11
Molecular Weight: 1365.8810
Inchikey: GUBGYTABKSRVRQ-WFVLMXAXSA-N
Inchi: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1
Isomeric Smiles: C(C1[C@H](C(C(C(O1)O)O)O)O[C@H]2C(C(C(C(O2)CO)O)O)O)O
Cas Id: 9004-34-6
Ob Score: 17.7370
Mol Logp: -5.3972
Num H Donors: 1
Num H Acceptors: 11
Num Rotatable Bonds: 4
Drug Likeness: 0.0260
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Cellulose

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Diphosphatidylglycerol

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Cellulose

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Cellulose

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Cellulose

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Diphosphatidylglycerol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Diphosphatidylglycerol

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Diphosphatidylglycerol

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

cellulose

Role

preferred

Source

TCMBank

Preferred

Yes

Name

diphosphatidylglycerol

Role

preferred

Source

TCMBank

Preferred

Yes

Name

diphosphatidylglycerol

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

(5S)-6-(hydroxymethyl)-5-{[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol

Role

alias

Source

HERB_v2

Preferred

Name

(5S)-6-(hydroxymethyl)-5-{[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol

Role

alias

Source

itcmdb_public

Preferred

Name

(6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

Role

alias

Source

HERB_v2

Preferred

Name

(6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

Role

alias

Source

itcmdb_public

Preferred

Name

9004-34-6

Role

alias

Source

itcmdb_public

Preferred

Name

9004-34-6

Role

alias

Source

HERB_v2

Preferred

Name

Cellulose DEAE

Role

alias

Source

HERB_v2

Preferred

Name

Cellulose DEAE

Role

alias

Source

itcmdb_public

Preferred

Name

DEAE-CELLULOSE

Role

alias

Source

itcmdb_public

Preferred

Name

DEAE-CELLULOSE

Role

alias

Source

HERB_v2

Preferred

Name

DEAE-Sephacel(R)

Role

alias

Source

itcmdb_public

Preferred

Name

DEAE-Sephacel(R)

Role

alias

Source

HERB_v2

Preferred

Name

Diethylaminoethyl cellulose

Role

alias

Source

itcmdb_public

Preferred

Name

Diethylaminoethyl-Sephacel(R)

Role

alias

Source

HERB_v2

Preferred

Name

Diethylaminoethyl-Sephacel(R)

Role

alias

Source

itcmdb_public

Preferred

Name

Diethylaminoethyl-cellulose

Role

alias

Source

HERB_v2

Preferred

Name

cardiolipin, (E.coli)

Role

alias

Source

itcmdb_public

Preferred

Name

cardiolipin, (E.coli)

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

Diphosphatidylglycerol(5S)-6-(hydroxymethyl)-5-{[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol(6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol9004-34-6Cellulose DEAEDEAE-CELLULOSEDEAE-Sephacel(R)Diethylaminoethyl celluloseDiethylaminoethyl-Sephacel(R)Diethylaminoethyl-cellulosecardiolipin, (E.coli)

Cross References

Trusted external identifiers retained for this final record.

Cas

9004-34-6

Herb

HBIN020055HBIN024213

Npass

NPC491226NPC491299

Tcmid

25124

Tcmsp

MOL011391

Sym Map

SMIT12307SMIT22863

Tcm Id

9857

Pub Chem

16211032644275

Tcmbank

TCMBANKIN005586TCMBANKIN031235

Etcm Ingredient

diphosphatidylglycerol

Itcmdb Generated

ITX-INGREDIENT-7C0181000BA7ITX-INGREDIENT-9C7D6BB877BC

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1InChI=1S/C74H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-71(76)84-64-69(90-73(78)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)66-88-92(80,81)86-62-61-68(75)63-87-93(82,83)89-67-70(91-74(79)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)65-85-72(77)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h68-70,75H,5-67H2,1-4H3,(H,80,81)(H,82,83)/p-2

Mol Wt

1365.880999999999342.297

Cas Id

9004-34-6

Smiles

C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)OCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCC(COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCC

Mol Log P

-5.39719999999999320.5758

Version

v1,v2v2

In Ch Ikey

GUBGYTABKSRVRQ-WFVLMXAXSA-NYATSNUBEGRTJAO-UHFFFAOYSA-L

Ob Score

17.73717.7374016317.737402

Suppress

Num Hdonors

Drug Likeness

0.0260.243

Num Hacceptors

1117

Isomeric Smiles

C(C1[C@H](C(C(C(O1)O)O)O)O[C@H]2C(C(C(C(O2)CO)O)O)O)OCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCC(COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCC

Molecule Weight

1366.1

Canonical Smiles

C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)OCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCC(COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCC

Herb Alias Names

DEAE-CELLULOSE9004-34-6Cellulose DEAEDiethylaminoethyl-celluloseDEAE-Sephacel(R)Diethylaminoethyl-Sephacel(R)(6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triolDiethylaminoethyl cellulose(5S)-6-(hydroxymethyl)-5-{[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol

Molecular Weight

1364.970

Molecular Weight

1365.9 g/mol342.3 g/mol

Molecular Formula

C74H142O17P2-2

Molecular Formula

(C6H10O5)nC74H142O17P2-2

Molecular Formula

C12H22O11C74H142O17P2-2

Num Rotatable Bonds

475

Fda Maximum Daily Dose (Fdamdd)

0.981

Quantitative Estimate Of Drug Likeness（Qed）

0.026