Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29124
- Core Entity Id
- 35559
- Source Entity Count
- 1
- Preferred Name
- Parfumine
- Name En
- Pubchem Id
- 185623
- Smiles Canonical
- CN1CCC2=CC(=C(C=C2C13CC4=C(C3=O)C5=C(C=C4)OCO5)O)OC
- Molecular Formula
- C20H19NO5
- Molecular Weight
- 353.3740
- Inchikey
- AHNUBWYOIHCGFN-FQEVSTJZSA-N
- Inchi
- InChI=1S/C20H19NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,22H,5-6,9-10H2,1-2H3/t20-/m0/s1
- Isomeric Smiles
- CN1CCC2=CC(=C(C=C2[C@]13CC4=C(C3=O)C5=C(C=C4)OCO5)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.2517
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Parfumine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Parfumine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Parfumine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
烟堇
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YAN JIN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Schleicher Fumitory
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
( )-Parfumine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Parfumine
Role
alias
Source
HERB_v2
Preferred
No
Name
28230-70-8
Role
alias
Source
HERB_v2
Preferred
No
Name
28230-70-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L4H81
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L4H81
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1Q6P8U
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1Q6P8U
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:68994
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:68994
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2374322
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2374322
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70182488
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70182488
Role
alias
Source
HERB_v2
Preferred
No
Name
d-Parfumine
Role
alias
Source
HERB_v2
Preferred
No
Name
d-Parfumine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
烟堇YAN JINSchleicher Fumitory( )-Parfumine(+)-Parfumine28230-70-8AC1L4H81AC1Q6P8UCHEBI:68994CHEMBL2374322DTXSID70182488d-Parfumine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038856
Npass
NPC207239
Tcmid
16651
Pub Chem
185623
Tcmbank
TCMBANKIN043204
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H19NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,22H,5-6,9-10H2,1-2H3/t20-/m0/s1
Mol Wt
353.3740000000001
Mol Log P
2.2517
In Ch Ikey
AHNUBWYOIHCGFN-FQEVSTJZSA-N
Tcm Name
烟堇
Tcm Name2
YAN JIN
Mol2 Path
/TCM_database/2007_3d_all/16663.mol2
Reference
1521
Num Hdonors
1
Tcm Name En
Schleicher Fumitory
Drug Likeness
0.848
Num Hacceptors
6
Isomeric Smiles
CN1CCC2=CC(=C(C=C2[C@]13CC4=C(C3=O)C5=C(C=C4)OCO5)O)OC
Canonical Smiles
CN1CCC2=CC(=C(C=C2C13CC4=C(C3=O)C5=C(C=C4)OCO5)O)OC
Herb Alias Names
(+)-Parfumine28230-70-8CHEBI:68994d-Parfumine( )-ParfumineAC1Q6P8UAC1L4H81CHEMBL2374322DTXSID70182488
Molecular Weight
353.4 g/mol
Molecular Formula
C20H19NO5
Num Rotatable Bonds
1