Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 6Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14218
- Core Entity Id
- 18971
- Source Entity Count
- 1
- Preferred Name
- (?)-chicanine
- Name En
- Pubchem Id
- 11078392
- Smiles Canonical
- CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)O)OC)C
- Molecular Formula
- C20H22O5
- Molecular Weight
- 342.3910
- Inchikey
- JPDORDSJPIKURD-OCBHBYCGSA-N
- Inchi
- InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12+,19+,20+/m0/s1
- Isomeric Smiles
- C[C@@H]1[C@@H]([C@@H](O[C@H]1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)O)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 4.2143
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.9050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-Chicanine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(?)-chicanine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(?)-chicanine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(−)-Chicanine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(−)-Chicanine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
海风藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HAI FENG TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Kadsura Pepper
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
78919-28-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
78919-28-5
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040760323
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040760323
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0019599
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0019599
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chicanin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chicanin
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-62264
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-62264
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID001120689
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID001120689
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N2270
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N2270
Role
alias
Source
itcmdb_public
Preferred
No
Name
chicanine
Role
alias
Source
HERB_v2
Preferred
No
Name
chicanine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Chicanine(−)-Chicanine海风藤HAI FENG TENGKadsura Pepper4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenol78919-28-5AKOS040760323CS-0019599ChicaninDA-62264DTXSID001120689HY-N2270chicanine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020287
Npass
NPC164023
Tcmid
3517
Sym Map
SMIT14637
Pub Chem
11078392
Tcmbank
TCMBANKIN046118
Etcm Ingredient
(-)-Chicanine
Itcmdb Generated
ITX-INGREDIENT-24D7444FF18BITX-INGREDIENT-890FBDF705A3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12+,19+,20+/m0/s1
Mol Wt
342.391
Mol Log P
4.214300000000004
Version
v1
In Ch Ikey
JPDORDSJPIKURD-OCBHBYCGSA-N
Suppress
0
Tcm Name
海风藤
Tcm Name2
HAI FENG TENG
Mol2 Path
/TCM_database/2007_3d_all/03517.mol2
Reference
2537, 4344
Num Hdonors
1
Tcm Name En
Kadsura Pepper
Drug Likeness
0.905
Num Hacceptors
5
Isomeric Smiles
C[C@@H]1[C@@H]([C@@H](O[C@H]1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)O)OC)C
Canonical Smiles
CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)O)OC)C
Herb Alias Names
Chicanin78919-28-5chicanine4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenolDTXSID001120689HY-N2270AKOS040760323DA-62264CS-0019599
Molecular Weight
342.150
Molecule Formula
C20H22O5
Molecular Formula
C20H22O5
Molecular Formula
C20H22O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.088
Quantitative Estimate Of Drug Likeness（Qed）
0.905