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
- 15249
- Core Entity Id
- 20115
- Source Entity Count
- 1
- Preferred Name
- Coronarin e
- Name En
- Pubchem Id
- 138113847
- Smiles Canonical
- CC1(CCCC2(C1CCC(=C)C2C=CC3=COC=C3)C)C
- Molecular Formula
- C20H28O
- Molecular Weight
- 284.4430
- Inchikey
- QXVXYNOIXUIXBI-NDLVVHCESA-N
- Inchi
- InChI=1S/C20H28O/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16-10-13-21-14-16/h7-8,10,13-14,17-18H,1,5-6,9,11-12H2,2-4H3/b8-7+/t17-,18-,20+/m0/s1
- Isomeric Smiles
- C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2/C=C/C3=COC=C3)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.0916
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Coronarin E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Coronarin E
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Coronarin e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Coronarin e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
土羌活
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TU QIANG HUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Coronarious Gingerlily
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
117591-81-8
Role
alias
Source
HERB_v2
Preferred
No
Name
117591-81-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furan
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furan
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032948621
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS032948621
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL109252
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL109252
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0023969
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0023969
Role
alias
Source
itcmdb_public
Preferred
No
Name
Coranorin E
Role
alias
Source
HERB_v2
Preferred
No
Name
Coranorin E
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-52060
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-52060
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-10193
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-10193
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3633
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3633
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
土羌活TU QIANG HUOCoronarious Gingerlily117591-81-83-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furanAKOS032948621CHEMBL109252CS-0023969Coranorin EDA-52060FS-10193HY-N3633
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021520
Tcmid
4086
Pub Chem
1381138479971144
Tcmbank
TCMBANKIN045839
Etcm Ingredient
Coronarin E
Itcmdb Generated
ITX-INGREDIENT-DED69C525C05
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16-10-13-21-14-16/h7-8,10,13-14,17-18H,1,5-6,9,11-12H2,2-4H3/b8-7+/t17-,18-,20+/m0/s1
Mol Wt
284.443
Mol Log P
6.091600000000006
In Ch Ikey
QXVXYNOIXUIXBI-NDLVVHCESA-N
Tcm Name
土羌活
Tcm Name2
TU QIANG HUO
Mol2 Path
/TCM_database/2007_3d_all/04086.mol2
Reference
4221
Num Hdonors
0
Tcm Name En
Coronarious Gingerlily
Drug Likeness
0.599
Num Hacceptors
1
Isomeric Smiles
C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2/C=C/C3=COC=C3)(C)C
Canonical Smiles
CC1(CCCC2(C1CCC(=C)C2C=CC3=COC=C3)C)C
Herb Alias Names
117591-81-83-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furanCoranorin ECHEMBL109252HY-N3633AKOS032948621DA-52060FS-10193CS-0023969
Molecular Weight
284.210
Molecular Weight
284.4 g/mol
Molecular Formula
C20H28O
Molecular Formula
C20H28O
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.887
Quantitative Estimate Of Drug Likeness（Qed）
0.599