Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 11Ingredient: 1Target: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25246
- Core Entity Id
- 31254
- Source Entity Count
- 1
- Preferred Name
- Lycoramine
- Name En
- Pubchem Id
- 24721122
- Smiles Canonical
- CN1CCC23CCC(CC2OC4=C(C=CC(=C34)C1)OC)O.Br
- Molecular Formula
- C17H23NO3
- Molecular Weight
- 289.3750
- Inchikey
- GJRMHIXYLGOZSE-JDFRZJQESA-N
- Inchi
- InChI=1S/C17H23NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-4,12,14,19H,5-10H2,1-2H3/t12-,14-,17-/m0/s1
- Isomeric Smiles
- CN1CC[C@@]23CC[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O
- Cas Id
- 21133-52-8
- Ob Score
- Mol Logp
- 2.0743
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8590
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycoramine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lycoramine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lycoramine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lycoramine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
lycoramine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-lycoramine
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-lycoramine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Dihydrogalanthamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Dihydrogalanthamine
Role
alias
Source
HERB_v2
Preferred
No
Name
21133-52-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
21133-52-8
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:31789
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:31789
Role
alias
Source
HERB_v2
Preferred
No
Name
Dihydrogalanthamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Dihydrogalanthamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycoramine free base
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycoramine free base
Role
alias
Source
HERB_v2
Preferred
No
Name
TAG8LU84K2
Role
alias
Source
HERB_v2
Preferred
No
Name
TAG8LU84K2
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-TAG8LU84K2
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-TAG8LU84K2
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-lycoramine1,2-Dihydrogalanthamine21133-52-8CHEBI:31789DihydrogalanthamineLycoramine free baseTAG8LU84K2UNII-TAG8LU84K2
Cross References
Trusted external identifiers retained for this final record.
Cas
21133-52-8
Herb
HBIN033999
Tcmid
13229
Sym Map
SMIT25180
Tcm Id
13290232702638
Pub Chem
24721122443723
Tcmbank
TCMBANKIN009560
Etcm Ingredient
Lycoramine
Itcmdb Generated
ITX-INGREDIENT-98342A80CB48ITX-INGREDIENT-A8B0315DE5D2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H23NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-4,12,14,19H,5-10H2,1-2H3/t12-,14-,17-/m0/s1
Mol Wt
289.375
Cas Id
21133-52-8
Smiles
CN1CCC23CCC(CC2OC4=C(C=CC(=C34)C1)OC)O.Br
Mol Log P
2.0743
Version
v2
In Ch Ikey
GJRMHIXYLGOZSE-JDFRZJQESA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.859
Num Hacceptors
4
Isomeric Smiles
CN1CC[C@@]23CC[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O
Canonical Smiles
CN1CCC23CCC(CC2OC4=C(C=CC(=C34)C1)OC)O
Herb Alias Names
21133-52-81,2-Dihydrogalanthamine(-)-lycoramine(+-)-lycoramineUNII-TAG8LU84K2Lycoramine free baseTAG8LU84K2DihydrogalanthamineCHEBI:31789
Molecular Weight
289.170
Molecular Weight
289.37
Molecular Formula
C17H23NO3
Molecular Formula
C17H23NO3
Molecular Formula
C17H23NO3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.904
Quantitative Estimate Of Drug Likeness（Qed）
0.859