IngredientID 34158

Sucol b

C4H10O2

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Herb: 1Ingredient: 1Target: 5Links: 6

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 34158
Core Entity Id: 41163
Source Entity Count: 1
Preferred Name: Sucol b
Name En
Pubchem Id: 8064
Smiles Canonical: C(CCO)CO
Molecular Formula: C4H10O2
Molecular Weight: 90.1220
Inchikey: WERYXYBDKMZEQL-UHFFFAOYSA-N
Inchi: InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
Isomeric Smiles: C(CCO)CO
Cas Id: 110-63-4
Ob Score: 17.7370
Mol Logp: -0.2488
Num H Donors: 2
Num H Acceptors: 2
Num Rotatable Bonds: 3
Drug Likeness: 0.4690
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Sucol B

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Sucol B

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Sucol b

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Sucol b

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

1,4-BD

Role

alias

Source

TCMBank

Preferred

Name

1,4-BUTANEDIOL

Role

alias

Source

TCMBank

Preferred

Name

1,4-BUTANEDIOL

Role

alias

Source

itcmdb_public

Preferred

Name

1,4-BUTANEDIOL

Role

alias

Source

HERB_v2

Preferred

Name

1,4-Butylene glycol

Role

alias

Source

TCMBank

Preferred

Name

1,4-Butylene glycol

Role

alias

Source

itcmdb_public

Preferred

Name

1,4-Butylene glycol

Role

alias

Source

HERB_v2

Preferred

Name

1,4-Dihydroxybutane

Role

alias

Source

TCMBank

Preferred

Name

1,4-Dihydroxybutane

Role

alias

Source

itcmdb_public

Preferred

Name

1,4-Dihydroxybutane

Role

alias

Source

HERB_v2

Preferred

Name

1,4-Tetramethylene glycol

Role

alias

Source

TCMBank

Preferred

Name

1,4-Tetramethylene glycol

Role

alias

Source

itcmdb_public

Preferred

Name

1,4-Tetramethylene glycol

Role

alias

Source

HERB_v2

Preferred

Name

110-63-4

Role

alias

Source

TCMBank

Preferred

Name

110-63-4

Role

alias

Source

itcmdb_public

Preferred

Name

110-63-4

Role

alias

Source

HERB_v2

Preferred

Name

240559_SIAL

Role

alias

Source

TCMBank

Preferred

Name

28324-25-6

Role

alias

Source

TCMBank

Preferred

Name

345261_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

345288_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

345296_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

345326_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

345334_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

4-01-00-02515 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

420999_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

493732_SIAL

Role

alias

Source

TCMBank

Preferred

Name

526320_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

70501_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

71602_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

732189-03-6

Role

alias

Source

TCMBank

Preferred

Name

73640_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

80016_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

80748_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

89918_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

91606_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

93542_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

93562_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

AI3-07553

Role

alias

Source

TCMBank

Preferred

Name

Agrisynth B1D

Role

alias

Source

TCMBank

Preferred

Name

BRN 1633445

Role

alias

Source

TCMBank

Preferred

Name

BU1

Role

alias

Source

TCMBank

Preferred

Name

BUTANEDIOL

Role

alias

Source

TCMBank

Preferred

Name

Butane-1,4-diol

Role

alias

Source

TCMBank

Preferred

Name

Butane-1,4-diol

Role

alias

Source

itcmdb_public

Preferred

Name

Butane-1,4-diol

Role

alias

Source

HERB_v2

Preferred

Name

CCRIS 5984

Role

alias

Source

TCMBank

Preferred

Name

DIOL 14B

Role

alias

Source

HERB_v2

Preferred

Name

DIOL 14B

Role

alias

Source

TCMBank

Preferred

Name

DIOL 14B

Role

alias

Source

itcmdb_public

Preferred

Name

EINECS 203-786-5

Role

alias

Source

TCMBank

Preferred

Name

HSDB 1112

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H

Role

alias

Source

TCMBank

Preferred

Name

NCGC00090733-01

Role

alias

Source

TCMBank

Preferred

Name

NSC 406696

Role

alias

Source

TCMBank

Preferred

Name

Poly THF

Role

alias

Source

TCMBank

Preferred

Name

Poly(1,4-butanediol)

Role

alias

Source

TCMBank

Preferred

Name

Poly(tetrahydrofuran)

Role

alias

Source

TCMBank

Preferred

Name

Polycaprolactone-block-polytetrahydrofuran-block-polycaprolactone

Role

alias

Source

TCMBank

Preferred

Name

Polytetramethylene ether glycol

Role

alias

Source

TCMBank

Preferred

Name

ST5214425

Role

alias

Source

TCMBank

Preferred

Name

TERATHANE1000 polyether glycol

Role

alias

Source

TCMBank

Preferred

Name

TERATHANE1400 polyether glycol

Role

alias

Source

TCMBank

Preferred

Name

TERATHANE2000 polyether glycol

Role

alias

Source

TCMBank

Preferred

Name

TERATHANE2900 polyether glycol

Role

alias

Source

TCMBank

Preferred

Name

TERATHANE650 polyether glycol

Role

alias

Source

TCMBank

Preferred

Name

Tetramethylene 1,4-diol

Role

alias

Source

HERB_v2

Preferred

Name

Tetramethylene 1,4-diol

Role

alias

Source

TCMBank

Preferred

Name

Tetramethylene 1,4-diol

Role

alias

Source

itcmdb_public

Preferred

Name

Tetramethylene glycol

Role

alias

Source

HERB_v2

Preferred

Name

Tetramethylene glycol

Role

alias

Source

TCMBank

Preferred

Name

Tetramethylene glycol

Role

alias

Source

itcmdb_public

Preferred

Name

WLN: Q4Q

Role

alias

Source

TCMBank

Preferred

Name

ZINC01599375

Role

alias

Source

TCMBank

Preferred

Name

alpha-Hydro-omega-hydroxypoly(oxy-1,4-butanediyl)

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

1,4-BD1,4-BUTANEDIOL1,4-Butylene glycol1,4-Dihydroxybutane1,4-Tetramethylene glycol110-63-4240559_SIAL28324-25-6345261_ALDRICH345288_ALDRICH345296_ALDRICH345326_ALDRICH345334_ALDRICH4-01-00-02515 (Beilstein Handbook Reference)420999_ALDRICH493732_SIAL526320_ALDRICH70501_FLUKA71602_FLUKA732189-03-673640_FLUKA80016_FLUKA80748_FLUKA89918_FLUKA91606_FLUKA93542_FLUKA93562_FLUKAAI3-07553Agrisynth B1DBRN 1633445BU1BUTANEDIOLButane-1,4-diolCCRIS 5984DIOL 14BEINECS 203-786-5HSDB 1112InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4HNCGC00090733-01NSC 406696Poly THFPoly(1,4-butanediol)Poly(tetrahydrofuran)Polycaprolactone-block-polytetrahydrofuran-block-polycaprolactonePolytetramethylene ether glycolST5214425TERATHANE1000 polyether glycolTERATHANE1400 polyether glycolTERATHANE2000 polyether glycolTERATHANE2900 polyether glycolTERATHANE650 polyether glycolTetramethylene 1,4-diolTetramethylene glycolWLN: Q4QZINC01599375alpha-Hydro-omega-hydroxypoly(oxy-1,4-butanediyl)

Cross References

Trusted external identifiers retained for this final record.

Cas

110-63-4

Herb

HBIN045072

Tcmsp

MOL010855

Sym Map

SMIT11832

Pub Chem

8064

Tcmbank

TCMBANKIN013792

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2

Mol Wt

90.122

Cas Id

110-63-4

Smiles

C(CCO)CO

Mol Log P

-0.2488

Version

v1,v2

In Ch Ikey

WERYXYBDKMZEQL-UHFFFAOYSA-N

Ob Score

17.73717.7374016317.737402

Suppress

Num Hdonors

Drug Likeness

0.469

Num Hacceptors

Isomeric Smiles

C(CCO)CO

Molecule Weight

90.14

Canonical Smiles

C(CCO)CO

Herb Alias Names

1,4-BUTANEDIOLButane-1,4-diol110-63-4Tetramethylene glycol1,4-Butylene glycol1,4-Dihydroxybutane1,4-Tetramethylene glycolTetramethylene 1,4-diolDIOL 14B

Molecular Weight

90.12

Molecular Formula

C4H10O2

Molecular Formula

C4H10O2

Num Rotatable Bonds