Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 14Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24275
- Core Entity Id
- 30168
- Source Entity Count
- 1
- Preferred Name
- Laudanosine
- Name En
- Pubchem Id
- 15548
- Smiles Canonical
- CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC
- Molecular Formula
- C21H27NO4
- Molecular Weight
- 357.4500
- Inchikey
- KGPAYJZAMGEDIQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3
- Isomeric Smiles
- CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC
- Cas Id
- 2688-77-9
- Ob Score
- Mol Logp
- 3.4927
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.7910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Laudanosine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Laudanosine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Laudanosine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
laudanosine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(R,S)-Laudanosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R,S)-Laudanosine
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
1699-51-0
Role
alias
Source
HERB_v2
Preferred
No
Name
1699-51-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
20412-65-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
20412-65-1
Role
alias
Source
HERB_v2
Preferred
No
Name
C21H27NO4
Role
alias
Source
HERB_v2
Preferred
No
Name
C21H27NO4
Role
alias
Source
itcmdb_public
Preferred
No
Name
DL-Laudanosine
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-Laudanosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Laudanosine (R,S)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Laudanosine (R,S)
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC35045
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC35045
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(R,S)-Laudanosine1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline1699-51-020412-65-1C21H27NO4DL-LaudanosineLaudanosine (R,S)NSC35045
Cross References
Trusted external identifiers retained for this final record.
Cas
2688-77-9
Herb
HBIN032746
Npass
NPC188163
Tcmid
12558
Tcm Id
3055
Pub Chem
1554873397
Tcmbank
TCMBANKIN021931
Etcm Ingredient
Laudanosine
Itcmdb Generated
ITX-INGREDIENT-05DD99FA8A1E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3
Mol Wt
357.4500000000001
Cas Id
2688-77-9
Smiles
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC
Mol Log P
3.492700000000003
In Ch Ikey
KGPAYJZAMGEDIQ-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.791
Num Hacceptors
5
Isomeric Smiles
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC
Canonical Smiles
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC
Herb Alias Names
DL-Laudanosine1699-51-01-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline(R,S)-LaudanosineLaudanosine (R,S)20412-65-1C21H27NO41-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolineNSC35045
Molecular Weight
357.190
Molecular Weight
357.44
Molecular Formula
C21H27NO4
Molecular Formula
C21H27NO4
Molecular Formula
C21H27NO4
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.893
Quantitative Estimate Of Drug Likeness（Qed）
0.791