Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27912
- Core Entity Id
- 34209
- Source Entity Count
- 1
- Preferred Name
- Norgalanthamine
- Name En
- Pubchem Id
- 9838394
- Smiles Canonical
- COC1=C2C3=C(CNCCC34C=CC(CC4O2)O)C=C1
- Molecular Formula
- C16H19NO3
- Molecular Weight
- 273.3320
- Inchikey
- AIXQQSTVOSFSMO-RBOXIYTFSA-N
- Inchi
- InChI=1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3/t11-,13-,16-/m0/s1
- Isomeric Smiles
- COC1=C2C3=C(CNCC[C@]34C=C[C@@H](C[C@@H]4O2)O)C=C1
- Cas Id
- Ob Score
- Mol Logp
- 1.5081
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Norgalanthamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Norgalanthamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Norgalanthamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
日本文殊兰
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN WEN SHU LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Crinum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2BPQ4IVQ21
Role
alias
Source
HERB_v2
Preferred
No
Name
2BPQ4IVQ21
Role
alias
Source
itcmdb_public
Preferred
No
Name
41303-74-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
41303-74-6
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Demethylgalanthamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Demethylgalanthamine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Desmethyl Galanthamine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Desmethyl Galanthamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Desmethylgalantamine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Desmethylgalantamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Norgalanthamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Norgalanthamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Norgalantamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Norgalantamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-2BPQ4IVQ21
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-2BPQ4IVQ21
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本文殊兰RI BEN WEN SHU LANJapanese Crinum2BPQ4IVQ2141303-74-6N-DemethylgalanthamineN-Desmethyl GalanthamineN-DesmethylgalantamineN-NorgalanthamineNorgalantamineUNII-2BPQ4IVQ21
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037341
Npass
NPC293871
Tcmid
15741
Pub Chem
9838394
Tcmbank
TCMBANKIN041609
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3/t11-,13-,16-/m0/s1
Mol Wt
273.332
Mol Log P
1.5081
In Ch Ikey
AIXQQSTVOSFSMO-RBOXIYTFSA-N
Tcm Name
日本文殊兰
Tcm Name2
RI BEN WEN SHU LAN
Mol2 Path
/TCM_database/2007_3d_all/15750.mol2
Reference
1207
Num Hdonors
2
Tcm Name En
Japanese Crinum
Drug Likeness
0.762
Num Hacceptors
4
Isomeric Smiles
COC1=C2C3=C(CNCC[C@]34C=C[C@@H](C[C@@H]4O2)O)C=C1
Canonical Smiles
COC1=C2C3=C(CNCCC34C=CC(CC4O2)O)C=C1
Herb Alias Names
N-Desmethyl Galanthamine41303-74-6N-DesmethylgalantamineNorgalantamineN-NorgalanthamineN-DesmethylgalanthamineN-DemethylgalanthamineUNII-2BPQ4IVQ212BPQ4IVQ21
Molecular Weight
273.33 g/mol
Molecular Formula
C16H19NO3
Num Rotatable Bonds
1