Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 12Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24283
- Core Entity Id
- 30177
- Source Entity Count
- 1
- Preferred Name
- Laurifoline
- Name En
- Pubchem Id
- 12305611
- Smiles Canonical
- C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC)C
- Molecular Formula
- C20H24NO4+
- Molecular Weight
- 342.4150
- Inchikey
- ZDVDVLRYVOZWMP-UHFFFAOYSA-O
- Inchi
- InChI=1S/C20H23NO4/c1-21(2)6-5-11-9-17(25-4)20(23)19-13-10-16(24-3)15(22)8-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1
- Isomeric Smiles
- C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC)C
- Cas Id
- 6808-76-0
- Ob Score
- 22.9610
- Mol Logp
- 3.0117
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Laurifoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Laurifoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Laurifoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Laurifoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Laurifoline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(+)-Laurifoline
Role
alias
Source
TCMBank
Preferred
No
Name
1,9-Dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,9-Dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,9-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, (S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,9-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, (S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
7224-61-5
Role
alias
Source
HERB_v2
Preferred
No
Name
7224-61-5
Role
alias
Source
TCMBank
Preferred
No
Name
7224-61-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032962360
Role
alias
Source
TCMBank
Preferred
No
Name
B0005-189791
Role
alias
Source
itcmdb_public
Preferred
No
Name
B0005-189791
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 3823
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 3823
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL235429
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID00992976
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00992976
Role
alias
Source
HERB_v2
Preferred
No
Name
MolPort-039-052-582
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC2007968
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Laurifoline1,9-Dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,9-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, (S)-7224-61-5AKOS032962360B0005-189791CCRIS 3823CHEMBL235429DTXSID00992976MolPort-039-052-582ZINC2007968
Cross References
Trusted external identifiers retained for this final record.
Cas
6808-76-0
Herb
HBIN032759
Npass
NPC96603
Tcmid
12566
Tcmsp
MOL004347
Sym Map
SMIT06282SMIT16256
Tcm Id
230473052
Pub Chem
1230561113356179037834
Tcmbank
TCMBANKIN023716
Etcm Ingredient
Laurifoline
Itcmdb Generated
ITX-INGREDIENT-B87F16030D89
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H23NO4/c1-21(2)6-5-11-9-17(25-4)20(23)19-13-10-16(24-3)15(22)8-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1
Mol Wt
342.4150000000001
Cas Id
6808-76-0
Smiles
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC)C
Mol Log P
3.011700000000003
Version
v1,v2
In Ch Ikey
ZDVDVLRYVOZWMP-UHFFFAOYSA-O
Ob Score
22.96122.96148622.96148648
Suppress
1
Num Hdonors
2
Drug Likeness
0.824
Num Hacceptors
4
Isomeric Smiles
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC)C
Molecule Weight
342.45
Canonical Smiles
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC)C
Herb Alias Names
CCRIS 38237224-61-54H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,9-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, (S)-DTXSID00992976B0005-1897911,9-Dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
Molecular Weight
342.170
Molecular Weight
342.4 g/mol
Molecule Formula
C20H24NO4+
Molecular Formula
C20H24NO4+
Molecular Formula
C20H24NO4+
Molecular Formula
C20H24NO4+
Num Rotatable Bonds
2
Link Ingredient Id
6282.0
Fda Maximum Daily Dose (Fdamdd)
0.976
Quantitative Estimate Of Drug Likeness（Qed）
0.824