Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 1Herb: 7Ingredient: 1Meta-analysis: 3Target: 12Links: 23
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21110
- Core Entity Id
- 26651
- Source Entity Count
- 1
- Preferred Name
- Ipa
- Name En
- Pubchem Id
- 3776
- Smiles Canonical
- CC(C)O
- Molecular Formula
- C3H8O
- Molecular Weight
- 60.0960
- Inchikey
- KFZMGEQAYNKOFK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
- Isomeric Smiles
- CC(C)O
- Cas Id
- 8013-70-5
- Ob Score
- 49.9459
- Mol Logp
- 0.3871
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ipa
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
IPA
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
IPA
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ipa
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ipa
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ipa
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-Hydroxy-1-methylethyl
Role
alias
Source
TCMBank
Preferred
No
Name
1-Methylethanol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Methylethyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
109827_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
154970_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
190764_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
2-Hydroxypropane
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxypropane
Role
alias
Source
TCMBank
Preferred
No
Name
2-Hydroxypropane
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-PROPANOL, ISOPROPANOL
Role
alias
Source
TCMBank
Preferred
No
Name
2-Propanol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propanol
Role
alias
Source
TCMBank
Preferred
No
Name
2-Propanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Propanol : Water 31:69 with 0.1% buffer
Role
alias
Source
TCMBank
Preferred
No
Name
2-Propanol solution
Role
alias
Source
TCMBank
Preferred
No
Name
2-Propyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
24137_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
278475_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
33539_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
34863_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
34895_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
34959_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
34965_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
4-01-00-01461 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
40219_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
40279_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
40301_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
40314_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
40343_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
437522_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
439207_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
442369_SUPELCO
Role
alias
Source
TCMBank
Preferred
No
Name
443425_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
5131-95-3
Role
alias
Source
TCMBank
Preferred
No
Name
534021_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
563935_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
59304_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
59309_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
650447_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
67-63-0
Role
alias
Source
HERB_v2
Preferred
No
Name
67-63-0
Role
alias
Source
TCMBank
Preferred
No
Name
67-63-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
673773_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
675431_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
8013-70-5
Role
alias
Source
TCMBank
Preferred
No
Name
91237_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
92438_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-01636
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-186244
Role
alias
Source
TCMBank
Preferred
No
Name
Alcohol, rubbing
Role
alias
Source
TCMBank
Preferred
No
Name
Alcojel
Role
alias
Source
TCMBank
Preferred
No
Name
Alcolo
Role
alias
Source
TCMBank
Preferred
No
Name
Alcool isopropilico
Role
alias
Source
TCMBank
Preferred
No
Name
Alcool isopropilico [Italian]
Role
alias
Source
TCMBank
Preferred
No
Name
Alcool isopropylique
Role
alias
Source
TCMBank
Preferred
No
Name
Alcool isopropylique [French]
Role
alias
Source
TCMBank
Preferred
No
Name
Alcosolve
Role
alias
Source
TCMBank
Preferred
No
Name
Alcosolve 2
Role
alias
Source
TCMBank
Preferred
No
Name
Alkolave
Role
alias
Source
TCMBank
Preferred
No
Name
Alkolave
Role
alias
Source
HERB_v2
Preferred
No
Name
Alkolave
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arquad DMCB
Role
alias
Source
TCMBank
Preferred
No
Name
Avantin
Role
alias
Source
TCMBank
Preferred
No
Name
Avantine
Role
alias
Source
HERB_v2
Preferred
No
Name
Avantine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Avantine
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0635639
Role
alias
Source
TCMBank
Preferred
No
Name
C01845
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 2308
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:17824
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:35681
Role
alias
Source
TCMBank
Preferred
No
Name
Caswell No. 507
Role
alias
Source
TCMBank
Preferred
No
Name
Combi-schutz
Role
alias
Source
TCMBank
Preferred
No
Name
D00137
Role
alias
Source
TCMBank
Preferred
No
Name
Dimethylcarbinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dimethylcarbinol
Role
alias
Source
TCMBank
Preferred
No
Name
Dimethylcarbinol
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 200-661-7
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 047601
Role
alias
Source
TCMBank
Preferred
No
Name
Ethyl, 1-hydroxy-1-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 2929
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA Number 2929
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 116
Role
alias
Source
TCMBank
Preferred
No
Name
Hartosol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hartosol
Role
alias
Source
HERB_v2
Preferred
No
Name
Hartosol
Role
alias
Source
TCMBank
Preferred
No
Name
I9030_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
I9516_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
I9782_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
IOH
Role
alias
Source
TCMBank
Preferred
No
Name
Imsol A
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H
Role
alias
Source
TCMBank
Preferred
No
Name
Iso-propylalkohol
Role
alias
Source
TCMBank
Preferred
No
Name
Iso-propylalkohol [German]
Role
alias
Source
TCMBank
Preferred
No
Name
Isohol
Role
alias
Source
TCMBank
Preferred
No
Name
Isopro
Role
alias
Source
TCMBank
Preferred
No
Name
Isopro (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropanol
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropanol (JP15)
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropanol or isopropyl alcohol [UN1219] [Flammable liquid]
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropenol
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropryl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Isopropyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isopropyl alcohol (USP)
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropyl alcohol (manufacture strong-acid process)
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropyl alcohol (manufacturing-strong acid process only)
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropyl alcohol (only persons who manufacture by the strong acid process are subject, supplier notification not required)
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropyl alcohol [USAN]
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropyl alcohol, rubbing
Role
alias
Source
TCMBank
Preferred
No
Name
LS-1565
Role
alias
Source
TCMBank
Preferred
No
Name
Lavacol
Role
alias
Source
TCMBank
Preferred
No
Name
Lutosol
Role
alias
Source
TCMBank
Preferred
No
Name
N-Term LC Solvent System B
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00090917-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC135801
Role
alias
Source
TCMBank
Preferred
No
Name
Petrohol
Role
alias
Source
TCMBank
Preferred
No
Name
Propan-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Propan-2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
Propan-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propol
Role
alias
Source
TCMBank
Preferred
No
Name
R-CHOH-R'
Role
alias
Source
TCMBank
Preferred
No
Name
Rubbing alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
ST5214369
Role
alias
Source
TCMBank
Preferred
No
Name
Secondary alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrar
Role
alias
Source
TCMBank
Preferred
No
Name
Sterisol hand disinfectant
Role
alias
Source
TCMBank
Preferred
No
Name
Takineocol
Role
alias
Source
TCMBank
Preferred
No
Name
UN1219
Role
alias
Source
TCMBank
Preferred
No
Name
Visco 1152
Role
alias
Source
TCMBank
Preferred
No
Name
W292907_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: QY1&1
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00901159
Role
alias
Source
TCMBank
Preferred
No
Name
c0519
Role
alias
Source
TCMBank
Preferred
No
Name
i-Propanol [German]
Role
alias
Source
TCMBank
Preferred
No
Name
i-Propyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
i-Propylalkohol
Role
alias
Source
TCMBank
Preferred
No
Name
i-Propylalkohol [German]
Role
alias
Source
TCMBank
Preferred
No
Name
i-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
isopropanol
Role
alias
Source
HERB_v2
Preferred
No
Name
isopropanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Propan-2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
sec-Propyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
sec-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
secondary alcohols
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Hydroxy-1-methylethyl1-Methylethanol1-Methylethyl alcohol109827_ALDRICH154970_SIAL190764_SIAL2-Hydroxypropane2-PROPANOL, ISOPROPANOL2-Propanol2-Propanol : Water 31:69 with 0.1% buffer2-Propanol solution2-Propyl alcohol24137_RIEDEL278475_ALDRICH33539_RIEDEL34863_SIAL34895_RIEDEL34959_RIEDEL34965_RIEDEL4-01-00-01461 (Beilstein Handbook Reference)40219_RIEDEL40279_RIEDEL40301_RIEDEL40314_RIEDEL40343_RIEDEL437522_SIAL439207_ALDRICH442369_SUPELCO443425_SIAL5131-95-3534021_ALDRICH563935_ALDRICH59304_FLUKA59309_FLUKA650447_ALDRICH67-63-0673773_ALDRICH675431_ALDRICH8013-70-591237_FLUKA92438_FLUKAAI3-01636AIDS-186244Alcohol, rubbingAlcojelAlcoloAlcool isopropilicoAlcool isopropilico [Italian]Alcool isopropyliqueAlcool isopropylique [French]AlcosolveAlcosolve 2AlkolaveArquad DMCBAvantinAvantineBRN 0635639C01845CCRIS 2308CHEBI:17824CHEBI:35681Caswell No. 507Combi-schutzD00137DimethylcarbinolEINECS 200-661-7EPA Pesticide Chemical Code 047601Ethyl, 1-hydroxy-1-methyl-FEMA No. 2929FEMA Number 2929HSDB 116HartosolI9030_SIGMAI9516_SIGMAI9782_SIGMAIOHImsol AInChI=1/C3H8O/c1-3(2)4/h3-4H,1-2HIso-propylalkoholIso-propylalkohol [German]IsoholIsoproIsopro (TN)IsopropanolIsopropanol (JP15)Isopropanol or isopropyl alcohol [UN1219] [Flammable liquid]IsopropenolIsopropryl alcoholIsopropyl alcoholIsopropyl alcohol (USP)Isopropyl alcohol (manufacture strong-acid process)Isopropyl alcohol (manufacturing-strong acid process only)Isopropyl alcohol (only persons who manufacture by the strong acid process are subject, supplier notification not required)Isopropyl alcohol [USAN]Isopropyl alcohol, rubbingLS-1565LavacolLutosolN-Term LC Solvent System BNCGC00090917-01NSC135801PetroholPropan-2-olPropolR-CHOH-R'Rubbing alcoholST5214369Secondary alcoholSpectrarSterisol hand disinfectantTakineocolUN1219Visco 1152W292907_ALDRICHWLN: QY1&1ZINC00901159c0519i-Propanol [German]i-Propyl alcoholi-Propylalkoholi-Propylalkohol [German]i-propanoln-Propan-2-olsec-Propyl alcoholsec-propanolsecondary alcohols
Cross References
Trusted external identifiers retained for this final record.
Cas
8013-70-5
Hit
C0155
Herb
HBIN030256
Npass
NPC163707
Tcmsp
MOL008719
Sym Map
SMIT09955
Pub Chem
3776
Tcmbank
TCMBANKIN036662
Etcm Ingredient
IPA
Itcmdb Generated
ITX-INGREDIENT-718EBA27C415
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
Mol Wt
60.096
Cas Id
8013-70-5
Smiles
CC(C)O
Mol Log P
0.3871000000000001
Version
v1,v2
In Ch Ikey
KFZMGEQAYNKOFK-UHFFFAOYSA-N
Ob Score
49.94591849.9459180249.946
Suppress
0
Num Hdonors
1
Drug Likeness
0.428
Num Hacceptors
1
Isomeric Smiles
CC(C)O
Molecule Weight
60.11
Canonical Smiles
CC(C)O
Herb Alias Names
isopropanolIsopropyl alcohol2-PropanolPropan-2-ol67-63-02-HydroxypropaneAlkolaveAvantineHartosolDimethylcarbinol
Molecular Weight
60.060
Molecular Weight
60.1
Molecular Formula
C3H8O
Molecular Formula
C3H8O
Molecular Formula
C3H8O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.034
Quantitative Estimate Of Drug Likeness（Qed）
0.428