Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 7Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27915
- Core Entity Id
- 34212
- Source Entity Count
- 1
- Preferred Name
- Norhyoscyamine
- Name En
- Pubchem Id
- 64696
- Smiles Canonical
- C1CC2CC(CC1N2)OC(=O)C(CO)C3=CC=CC=C3
- Molecular Formula
- C16H21NO3
- Molecular Weight
- 275.3480
- Inchikey
- ATKYNAZQGVYHIB-MLGYPOCJSA-N
- Inchi
- InChI=1S/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12?,13?,14?,15-/m1/s1
- Isomeric Smiles
- C1CC2CC(CC1N2)OC(=O)[C@H](CO)C3=CC=CC=C3
- Cas Id
- 537-29-1
- Ob Score
- 60.3430
- Mol Logp
- 1.5887
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8190
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Norhyoscyamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Norhyoscyamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Norhyoscyamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Norhyoscyamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Norhyoscyamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L21RB
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L21RB
Role
alias
Source
HERB_v2
Preferred
No
Name
C10862
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10862
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:7631
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:7631
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00094397
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00094397
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27107545
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27107545
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL13592134
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL13592134
Role
alias
Source
itcmdb_public
Preferred
No
Name
SureCN13592134
Role
alias
Source
HERB_v2
Preferred
No
Name
SureCN13592134
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tropic acid, 3alpha-nortropanyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Tropic acid, 3alpha-nortropanyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
norhyoscyamine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoateAC1L21RBC10862CHEBI:7631NS00094397Q27107545SCHEMBL13592134SureCN13592134Tropic acid, 3alpha-nortropanyl ester
Cross References
Trusted external identifiers retained for this final record.
Cas
537-29-1
Herb
HBIN037345
Tcmid
15751
Tcmsp
MOL011525
Sym Map
SMIT12408
Tcm Id
222123436
Pub Chem
64696
Tcmbank
TCMBANKIN012973
Etcm Ingredient
Norhyoscyamine
Itcmdb Generated
ITX-INGREDIENT-15F26FB49C6D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12?,13?,14?,15-/m1/s1
Mol Wt
275.348
Cas Id
537-29-1
Smiles
C1CC2CC(CC1N2)OC(=O)C(CO)C3=CC=CC=C3
Mol Log P
1.5887
Version
v1,v2
In Ch Ikey
ATKYNAZQGVYHIB-MLGYPOCJSA-N
Ob Score
60.34360.34343160.34343105
Suppress
0
Num Hdonors
2
Drug Likeness
0.819
Num Hacceptors
4
Isomeric Smiles
C1CC2CC(CC1N2)OC(=O)[C@H](CO)C3=CC=CC=C3
Molecule Weight
275.38
Canonical Smiles
C1CC2CC(CC1N2)OC(=O)C(CO)C3=CC=CC=C3
Herb Alias Names
8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoateC10862AC1L21RBTropic acid, 3alpha-nortropanyl esterSureCN13592134CHEBI:7631SCHEMBL13592134NS00094397Q27107545
Molecular Weight
275.150
Molecular Weight
275.34
Molecular Formula
C16H21NO3
Molecular Formula
C16H21NO3
Molecular Formula
C16H21NO3
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.840
Quantitative Estimate Of Drug Likeness（Qed）
0.819