Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19219
- Core Entity Id
- 24541
- Source Entity Count
- 1
- Preferred Name
- Flabelliformine
- Name En
- Pubchem Id
- 101844701
- Smiles Canonical
- CC=C1CN(CCC1C(=C)C2=C(C3=CC=CC=C3N2)COC)C(=O)OC
- Molecular Formula
- C21H26N2O3
- Molecular Weight
- 354.4500
- Inchikey
- WNPGPJRHDMTHIO-WCSRMQSCSA-N
- Inchi
- InChI=1S/C21H26N2O3/c1-5-15-12-23(21(24)26-4)11-10-16(15)14(2)20-18(13-25-3)17-8-6-7-9-19(17)22-20/h5-9,16,22H,2,10-13H2,1,3-4H3/b15-5-
- Isomeric Smiles
- C/C=C\1/CN(CCC1C(=C)C2=C(C3=CC=CC=C3N2)COC)C(=O)OC
- Cas Id
- Ob Score
- Mol Logp
- 4.3621
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Flabelliformine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Flabelliformine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Flabelliformine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
东北石杉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DONG BEI SHI SHAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Northeast Clubmos*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
东北石杉DONG BEI SHI SHANNortheast Clubmos*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026519
Tcmid
7804
Pub Chem
101844701
Tcmbank
TCMBANKIN045634
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H26N2O3/c1-5-15-12-23(21(24)26-4)11-10-16(15)14(2)20-18(13-25-3)17-8-6-7-9-19(17)22-20/h5-9,16,22H,2,10-13H2,1,3-4H3/b15-5-
Mol Wt
354.4500000000002
Mol Log P
4.362100000000003
In Ch Ikey
WNPGPJRHDMTHIO-WCSRMQSCSA-N
Tcm Name
东北石杉
Tcm Name2
DONG BEI SHI SHAN
Mol2 Path
/TCM_database/2007_3d_all/07805.mol2
Reference
5412
Num Hdonors
1
Tcm Name En
Northeast Clubmos*
Drug Likeness
0.83
Num Hacceptors
3
Isomeric Smiles
C/C=C\1/CN(CCC1C(=C)C2=C(C3=CC=CC=C3N2)COC)C(=O)OC
Canonical Smiles
CC=C1CN(CCC1C(=C)C2=C(C3=CC=CC=C3N2)COC)C(=O)OC
Molecular Weight
354.4 g/mol
Molecular Formula
C21H26N2O3
Num Rotatable Bonds
4