Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21874
- Core Entity Id
- 27498
- Source Entity Count
- 1
- Preferred Name
- Hypecorinine
- Name En
- Pubchem Id
- 13997263
- Smiles Canonical
- CN1CCC2=CC3=C(C=C2C14C(=O)C5=C(CO4)C6=C(C=C5)OCO6)OCO3
- Molecular Formula
- C20H17NO6
- Molecular Weight
- 367.3570
- Inchikey
- DFLLMUXSZJESOF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3
- Isomeric Smiles
- CN1CCC2=CC3=C(C=C2C14C(=O)C5=C(CO4)C6=C(C=C5)OCO6)OCO3
- Cas Id
- Ob Score
- Mol Logp
- 2.1978
- Num H Donors
- 0
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hypecorinine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hypecorinine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
hypecorinine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
41787-57-9
Role
alias
Source
HERB_v2
Preferred
No
Name
41787-57-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-9H-[1,3]dioxolo[4,5-h]isochromene]-6'-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-9H-[1,3]dioxolo[4,5-h]isochromene]-6'-one
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040734918
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040734918
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50286644
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50286644
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4173190
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4173190
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-7674
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-7674
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
41787-57-96-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-9H-[1,3]dioxolo[4,5-h]isochromene]-6'-oneAKOS040734918BDBM50286644CHEMBL4173190FS-7674
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029820
Npass
NPC166616
Tcmid
10878
Pub Chem
13997263
Tcmbank
TCMBANKIN044442
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3
Mol Wt
367.3570000000001
Smiles
CN1CCC2=CC3=C(C=C2C14C(=O)C5=C(CO4)C6=C(C=C5)OCO6)OCO3
Mol Log P
2.1978
In Ch Ikey
DFLLMUXSZJESOF-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/10879.mol2
Reference
660
Num Hdonors
0
Drug Likeness
0.707
Num Hacceptors
7
Isomeric Smiles
CN1CCC2=CC3=C(C=C2C14C(=O)C5=C(CO4)C6=C(C=C5)OCO6)OCO3
Canonical Smiles
CN1CCC2=CC3=C(C=C2C14C(=O)C5=C(CO4)C6=C(C=C5)OCO6)OCO3
Herb Alias Names
41787-57-9CHEMBL41731906-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-9H-[1,3]dioxolo[4,5-h]isochromene]-6'-oneBDBM50286644AKOS040734918FS-7674
Molecular Weight
367.4 g/mol
Molecular Formula
C20H17NO6
Molecular Formula
C20H17NO6
Num Rotatable Bonds
0