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: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33924
- Core Entity Id
- 40904
- Source Entity Count
- 1
- Preferred Name
- Stephabyssine
- Name En
- Pubchem Id
- 21593992
- Smiles Canonical
- CN1CCC23C14CC(C5=C2C(=C(C=C5)OC)O)OC4(C(=O)CC3)O
- Molecular Formula
- C18H21NO5
- Molecular Weight
- 331.3680
- Inchikey
- ISILEFQFEYPRJE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H21NO5/c1-19-8-7-16-6-5-13(20)18(22)17(16,19)9-12(24-18)10-3-4-11(23-2)15(21)14(10)16/h3-4,12,21-22H,5-9H2,1-2H3
- Isomeric Smiles
- CN1CCC23C14CC(C5=C2C(=C(C=C5)OC)O)OC4(C(=O)CC3)O
- Cas Id
- Ob Score
- Mol Logp
- 1.2394
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Stephabyssine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Stephabyssine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
stephabyssine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ISILEFQFEYPRJE-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
ISILEFQFEYPRJE-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
ISILEFQFEYPRJE-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044785
Npass
NPC44876
Tcmid
20295
Pub Chem
21593992615804
Tcmbank
TCMBANKIN048219
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H21NO5/c1-19-8-7-16-6-5-13(20)18(22)17(16,19)9-12(24-18)10-3-4-11(23-2)15(21)14(10)16/h3-4,12,21-22H,5-9H2,1-2H3
Mol Wt
331.3680000000001
Smiles
CN1CCC23C14CC(C5=C2C(=C(C=C5)OC)O)OC4(C(=O)CC3)O
Mol Log P
1.2394
In Ch Ikey
ISILEFQFEYPRJE-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/20311.mol2
Reference
660
Num Hdonors
2
Drug Likeness
0.806
Num Hacceptors
6
Isomeric Smiles
CN1CCC23C14CC(C5=C2C(=C(C=C5)OC)O)OC4(C(=O)CC3)O
Canonical Smiles
CN1CCC23C14CC(C5=C2C(=C(C=C5)OC)O)OC4(C(=O)CC3)O
Herb Alias Names
ISILEFQFEYPRJE-UHFFFAOYSA-N
Molecular Weight
331.4 g/mol
Molecular Formula
C18H21NO5
Molecular Formula
C18H21NO5
Num Rotatable Bonds
1