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: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21609
- Core Entity Id
- 27205
- Source Entity Count
- 1
- Preferred Name
- Homostephanoline
- Name En
- Pubchem Id
- 101673474
- Smiles Canonical
- CN1CCC23C1(CCC4=C2C(=C(C=C4)O)OC)C(=C(C(=O)C3)OC)OC
- Molecular Formula
- C20H25NO5
- Molecular Weight
- 359.4220
- Inchikey
- VCOZOQJXGDDART-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H25NO5/c1-21-10-9-19-11-14(23)17(25-3)18(26-4)20(19,21)8-7-12-5-6-13(22)16(24-2)15(12)19/h5-6,22H,7-11H2,1-4H3
- Isomeric Smiles
- CN1CCC23C1(CCC4=C2C(=C(C=C4)O)OC)C(=C(C(=O)C3)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.1363
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Homostephanoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Homostephanoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Homostephanoline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Homostephanoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
homostephanoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-Hydroxy-4,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one #
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxy-4,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one #
Role
alias
Source
TCMBank
Preferred
No
Name
3-Hydroxy-4,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one #
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1LCF2Y
Role
alias
Source
TCMBank
Preferred
No
Name
Homostephanoline
Role
alias
Source
TCMBank
Preferred
No
Name
VCOZOQJXGDDART-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
VCOZOQJXGDDART-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
VCOZOQJXGDDART-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-Hydroxy-4,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one #AC1LCF2YVCOZOQJXGDDART-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029514
Tcmid
9621
Sym Map
SMIT15783
Pub Chem
101673474627343
Tcmbank
TCMBANKIN010593
Etcm Ingredient
Homostephanoline
Itcmdb Generated
ITX-INGREDIENT-725F19A081B7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H25NO5/c1-21-10-9-19-11-14(23)17(25-3)18(26-4)20(19,21)8-7-12-5-6-13(22)16(24-2)15(12)19/h5-6,22H,7-11H2,1-4H3
Mol Wt
359.4220000000001
Smiles
CN1CCC23C1(CCC4=C2C(=C(C=C4)O)OC)C(=C(C(=O)C3)OC)OC
Mol Log P
2.1363
Version
v1,v2
In Ch Ikey
VCOZOQJXGDDART-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.892
Num Hacceptors
6
Isomeric Smiles
CN1CCC23C1(CCC4=C2C(=C(C=C4)O)OC)C(=C(C(=O)C3)OC)OC
Canonical Smiles
CN1CCC23C1(CCC4=C2C(=C(C=C4)O)OC)C(=C(C(=O)C3)OC)OC
Herb Alias Names
VCOZOQJXGDDART-UHFFFAOYSA-N3-Hydroxy-4,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one #
Molecular Weight
359.170
Molecular Weight
359.4 g/mol
Molecule Formula
C20H25NO5
Molecular Formula
C20H25NO5
Molecular Formula
C20H25NO5
Molecular Formula
C20H25NO5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.604
Quantitative Estimate Of Drug Likeness（Qed）
0.892