Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20324
- Core Entity Id
- 25770
- Source Entity Count
- 1
- Preferred Name
- Glaudine
- Name En
- Pubchem Id
- 633491
- Smiles Canonical
- CN1CCC2=CC(=C(C=C2C3C1C4=C(C(O3)OC)C5=C(C=C4)OCO5)OC)OC
- Molecular Formula
- C22H25NO6
- Molecular Weight
- 399.4430
- Inchikey
- STJFYCWYHROASW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H25NO6/c1-23-8-7-12-9-16(24-2)17(25-3)10-14(12)20-19(23)13-5-6-15-21(28-11-27-15)18(13)22(26-4)29-20/h5-6,9-10,19-20,22H,7-8,11H2,1-4H3
- Isomeric Smiles
- CN1CCC2=CC(=C(C=C2C3C1C4=C(C(O3)OC)C5=C(C=C4)OCO5)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.3780
- Num H Donors
- 0
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glaudine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Glaudine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glaudine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Glaudine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
glaudine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo(11.9.0.02,10.05,9.014,19)docosa-2(10),3,5(9),14,16,18-hexaene
Role
alias
Source
itcmdb_public
Preferred
No
Name
11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.0^{2,10}.0^{5,9}.0^{14,19}]docosa-2(10),3,5(9),14,16,18-hexaene
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Methylpapaverrubine B
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Methylpapaverrubine B
Role
alias
Source
itcmdb_public
Preferred
No
Name
O,N-Dimethylpapaverrubine D
Role
alias
Source
HERB_v2
Preferred
No
Name
O,N-Dimethylpapaverrubine D
Role
alias
Source
itcmdb_public
Preferred
No
Name
O,N-Dimethylporphyroxine
Role
alias
Source
HERB_v2
Preferred
No
Name
O,N-Dimethylporphyroxine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oreodine
Role
alias
Source
HERB_v2
Preferred
No
Name
Oreodine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo(11.9.0.02,10.05,9.014,19)docosa-2(10),3,5(9),14,16,18-hexaene11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.0^{2,10}.0^{5,9}.0^{14,19}]docosa-2(10),3,5(9),14,16,18-hexaeneN-Methylpapaverrubine BO,N-Dimethylpapaverrubine DO,N-DimethylporphyroxineOreodine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027921
Tcmid
8522
Sym Map
SMIT15600
Tcm Id
3981
Pub Chem
633491
Tcmbank
TCMBANKIN021575
Etcm Ingredient
Glaudine
Itcmdb Generated
ITX-INGREDIENT-D30FF01617E4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H25NO6/c1-23-8-7-12-9-16(24-2)17(25-3)10-14(12)20-19(23)13-5-6-15-21(28-11-27-15)18(13)22(26-4)29-20/h5-6,9-10,19-20,22H,7-8,11H2,1-4H3
Mol Wt
399.4430000000002
Smiles
CN1CCC2=CC(=C(C=C2C3C1C4=C(C(O3)OC)C5=C(C=C4)OCO5)OC)OC
Mol Log P
3.378000000000002
Version
v1,v2
In Ch Ikey
STJFYCWYHROASW-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.784
Num Hacceptors
7
Isomeric Smiles
CN1CCC2=CC(=C(C=C2C3C1C4=C(C(O3)OC)C5=C(C=C4)OCO5)OC)OC
Canonical Smiles
CN1CCC2=CC(=C(C=C2C3C1C4=C(C(O3)OC)C5=C(C=C4)OCO5)OC)OC
Herb Alias Names
Oreodine(+)-Oreodine11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.0^{2,10}.0^{5,9}.0^{14,19}]docosa-2(10),3,5(9),14,16,18-hexaene11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo(11.9.0.0^(2,10).0^(5,9).0^(14,19))docosa-2(10),3,5(9),14,16,18-hexaene11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo(11.9.0.02,10.05,9.014,19)docosa-2(10),3,5(9),14,16,18-hexaeneN-Methylpapaverrubine BO,N-DimethylporphyroxineO,N-Dimethylpapaverrubine D
Molecular Weight
399.170
Molecular Weight
399.4 g/mol
Molecule Formula
C22H25NO6
Molecular Formula
C22H25NO6
Molecular Formula
C22H25NO6
Molecular Formula
C22H25NO6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.894
Quantitative Estimate Of Drug Likeness（Qed）
0.784