ITCMDBv1
IngredientID 30708

Propranolol,l-

C16H21NO2

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Relationship Network

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

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Herb: 1Ingredient: 1Target: 12Links: 13
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
30708
Core Entity Id
37314
Source Entity Count
1
Preferred Name
Propranolol,l-
Name En
Pubchem Id
4946
Smiles Canonical
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
Molecular Formula
C16H21NO2
Molecular Weight
259.3490
Inchikey
AQHHHDLHHXJYJD-AWEZNQCLSA-N
Inchi
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
Isomeric Smiles
CC(C)NC[C@@H](COC1=CC=CC2=CC=CC=C21)O
Cas Id
839938
Ob Score
57.9936
Mol Logp
2.5775
Num H Donors
2
Num H Acceptors
3
Num Rotatable Bonds
6
Drug Likeness
0.8380
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Propranolol, L-
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Propranolol, L-
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Propranolol,l-
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Propranolol,l-
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-propanolol
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-propanolol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-propranolol
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-propranolol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-propranolol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-((1-methylethyl)amino) 3-(1-naphthalenyloxy) 2-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL
Role
alias
Source
TCMBank
Preferred
No
Name
1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol
Role
alias
Source
HERB_v2
Preferred
No
Name
4199-09-1
Role
alias
Source
HERB_v2
Preferred
No
Name
4199-09-1
Role
alias
Source
TCMBank
Preferred
No
Name
4199-09-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
BCBcMAP01_000208
Role
alias
Source
TCMBank
Preferred
No
Name
BPBio1_001200
Role
alias
Source
TCMBank
Preferred
No
Name
BPBio1_001236
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_001040
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_001090
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_001122
Role
alias
Source
TCMBank
Preferred
No
Name
Bio2_000360
Role
alias
Source
TCMBank
Preferred
No
Name
Bio2_000840
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 224-095-5
Role
alias
Source
TCMBank
Preferred
No
Name
IDI1_002115
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_000380
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_002948
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_005516
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_000739
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_000740
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_000380
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_000380
Role
alias
Source
TCMBank
Preferred
No
Name
Levopropranolol
Role
alias
Source
HERB_v2
Preferred
No
Name
Levopropranolol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lopac0_001023
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00024813-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00024813-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00024813-04
Role
alias
Source
TCMBank
Preferred
No
Name
PDSP1_000768
Role
alias
Source
TCMBank
Preferred
No
Name
PDSP2_000756
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick0_001081
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick1_001081
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick2_001081
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick3_001075
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick3_001081
Role
alias
Source
TCMBank
Preferred
No
Name
Propranolol, L-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propranolol, L-
Role
alias
Source
HERB_v2
Preferred
No
Name
SPBio_003021
Role
alias
Source
TCMBank
Preferred
No
Name
Tocris-0834
Role
alias
Source
TCMBank
Preferred
No
Name
nchembio790-comp4
Role
alias
Source
TCMBank
Preferred
No
Name
s-(-)-propranolol
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Propranolol, L-(-)-propanolol(-)-propranolol(2S)-1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol(S)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol(S)-propranolol1-((1-methylethyl)amino) 3-(1-naphthalenyloxy) 2-propanol1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL4199-09-1BCBcMAP01_000208BPBio1_001200BPBio1_001236BSPBio_001040BSPBio_001090BSPBio_001122Bio2_000360Bio2_000840EINECS 224-095-5IDI1_002115KBio2_000380KBio2_002948KBio2_005516KBio3_000739KBio3_000740KBioGR_000380KBioSS_000380LevopropranololLopac0_001023NCGC00024813-01NCGC00024813-03NCGC00024813-04PDSP1_000768PDSP2_000756Prestwick0_001081Prestwick1_001081Prestwick2_001081Prestwick3_001075Prestwick3_001081SPBio_003021Tocris-0834nchembio790-comp4s-(-)-propranolol

Cross References

Trusted external identifiers retained for this final record.

Cas
4199-09-1
Herb
HBIN040848
Tcmsp
MOL009261
Sym Map
SMIT10421
Pub Chem
494691536
Tcmbank
TCMBANKIN006818

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
Mol Wt
259.349
Cas Id
839938
Smiles
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
Mol Log P
2.577500000000001
Version
v1,v2
In Ch Ikey
AQHHHDLHHXJYJD-AWEZNQCLSA-N
Ob Score
57.9935908257.99359157.994
Suppress
0
Num Hdonors
2
Drug Likeness
0.838
Num Hacceptors
3
Isomeric Smiles
CC(C)NC[C@@H](COC1=CC=CC2=CC=CC=C21)O
Molecule Weight
259.38
Canonical Smiles
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
Herb Alias Names
4199-09-1(S)-propranololPropranolol, L-(-)-propranolol1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanolLevopropranolol(-)-propanolols-(-)-propranolol(S)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular Weight
259.34 g/mol
Molecular Formula
C16H21NO2
Molecular Formula
C16H21NO2
Num Rotatable Bonds
6