ITCMDBv1
IngredientID 27887

Norcinnamolaurine

C17H17NO3

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
27887
Core Entity Id
34181
Source Entity Count
1
Preferred Name
Norcinnamolaurine
Name En
Pubchem Id
22217550
Smiles Canonical
C1CNC(C2=CC3=C(C=C21)OCO3)CC4=CC=C(C=C4)O
Molecular Formula
C17H17NO3
Molecular Weight
283.3270
Inchikey
IZZKMFBIJVLUFA-OAHLLOKOSA-N
Inchi
InChI=1S/C17H17NO3/c19-13-3-1-11(2-4-13)7-15-14-9-17-16(20-10-21-17)8-12(14)5-6-18-15/h1-4,8-9,15,18-19H,5-7,10H2/t15-/m1/s1
Isomeric Smiles
C1CN[C@@H](C2=CC3=C(C=C21)OCO3)CC4=CC=C(C=C4)O
Cas Id
34168-00-8
Ob Score
Mol Logp
2.5504
Num H Donors
2
Num H Acceptors
4
Num Rotatable Bonds
2
Drug Likeness
0.8890
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Norcinnamolaurine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Norcinnamolaurine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
norcinnamolaurine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-Norcinnamolaurine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Norcinnamolaurine
Role
alias
Source
HERB_v2
Preferred
No
Name
34168-00-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
34168-00-8
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(((5R)-5,6,7,8-tetrahydro-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)methyl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(((5R)-5,6,7,8-tetrahydro-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)methyl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
FT4N339CWM
Role
alias
Source
itcmdb_public
Preferred
No
Name
FT4N339CWM
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 4-(((5R)-5,6,7,8-tetrahydro-1,3-dioxolo(4,5-g)isoquinolin-5-yl)methyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 4-(((5R)-5,6,7,8-tetrahydro-1,3-dioxolo(4,5-g)isoquinolin-5-yl)methyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 4-((5,6,7,8-tetrahydro-1,3-dioxolo(4,5-g)isoquinolin-5-yl)methyl)-, (R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 4-((5,6,7,8-tetrahydro-1,3-dioxolo(4,5-g)isoquinolin-5-yl)methyl)-, (R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-FT4N339CWM
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-FT4N339CWM
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(+)-Norcinnamolaurine34168-00-84-(((5R)-5,6,7,8-tetrahydro-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)methyl)phenolFT4N339CWMPhenol, 4-(((5R)-5,6,7,8-tetrahydro-1,3-dioxolo(4,5-g)isoquinolin-5-yl)methyl)-Phenol, 4-((5,6,7,8-tetrahydro-1,3-dioxolo(4,5-g)isoquinolin-5-yl)methyl)-, (R)-UNII-FT4N339CWM

Cross References

Trusted external identifiers retained for this final record.

Cas
34168-00-8
Herb
HBIN037312
Tcmid
15718
Tcm Id
2231
Pub Chem
22217550
Tcmbank
TCMBANKIN047534

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C17H17NO3/c19-13-3-1-11(2-4-13)7-15-14-9-17-16(20-10-21-17)8-12(14)5-6-18-15/h1-4,8-9,15,18-19H,5-7,10H2/t15-/m1/s1
Mol Wt
283.3269999999999
Cas Id
34168-00-8
Smiles
C1CNC(C2=CC3=C(C=C21)OCO3)CC4=CC=C(C=C4)O
Mol Log P
2.550400000000001
In Ch Ikey
IZZKMFBIJVLUFA-OAHLLOKOSA-N
Mol2 Path
/TCM_database/2007_3d_all/15727.mol2
Reference
2715
Num Hdonors
2
Drug Likeness
0.889
Num Hacceptors
4
Isomeric Smiles
C1CN[C@@H](C2=CC3=C(C=C21)OCO3)CC4=CC=C(C=C4)O
Canonical Smiles
C1CNC(C2=CC3=C(C=C21)OCO3)CC4=CC=C(C=C4)O
Herb Alias Names
(+)-NorcinnamolaurineUNII-FT4N339CWMFT4N339CWM34168-00-8Phenol, 4-(((5R)-5,6,7,8-tetrahydro-1,3-dioxolo(4,5-g)isoquinolin-5-yl)methyl)-Phenol, 4-((5,6,7,8-tetrahydro-1,3-dioxolo(4,5-g)isoquinolin-5-yl)methyl)-, (R)-Phenol, 4-[(5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinolin-5-yl)methyl]-, (R)-4-(((5R)-5,6,7,8-tetrahydro-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)methyl)phenol4-[[(5R)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]phenol
Molecular Weight
283.32
Molecular Formula
C17H17NO3
Molecular Formula
C17H17NO3
Num Rotatable Bonds
2