Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19098
- Core Entity Id
- 24407
- Source Entity Count
- 1
- Preferred Name
- Farfugin a
- Name En
- Pubchem Id
- 5317316
- Smiles Canonical
- CC1CCCC2=C1C3=C(C=C2C)OC=C3C
- Molecular Formula
- C15H18O
- Molecular Weight
- 214.3080
- Inchikey
- LBXSOZAXYXJJLL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H18O/c1-9-5-4-6-12-10(2)7-13-11(3)8-16-15(13)14(9)12/h7-9H,4-6H2,1-3H3
- Isomeric Smiles
- CC1CCCC2=C1C3=C(C=C2C)C(=CO3)C
- Cas Id
- 36061-18-4
- Ob Score
- 50.8909
- Mol Logp
- 4.4894
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Farfugin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Farfugin A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Farfugin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Farfugin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
farfugin A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(9S)-1,5,9-trimethyl-6,7,8,9-tetrahydrobenzo(e)(1)benzofuran
Role
alias
Source
itcmdb_public
Preferred
No
Name
(9S)-1,5,9-trimethyl-6,7,8,9-tetrahydrobenzo(e)(1)benzofuran
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g][1]benzofuran
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g][1]benzofuran
Role
alias
Source
HERB_v2
Preferred
No
Name
36061-18-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
36061-18-4
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL399793
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL399793
Role
alias
Source
HERB_v2
Preferred
No
Name
farfugin a
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(9S)-1,5,9-trimethyl-6,7,8,9-tetrahydrobenzo(e)(1)benzofuran3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g][1]benzofuran36061-18-4CHEMBL399793
Cross References
Trusted external identifiers retained for this final record.
Cas
36061-18-4
Herb
HBIN026365
Npass
NPC175352
Tcmid
7716
Tcmsp
MOL010051
Sym Map
SMIT11123
Pub Chem
5317316
Tcmbank
TCMBANKIN000652
Etcm Ingredient
Farfugin A
Itcmdb Generated
ITX-INGREDIENT-9AAD75567BEB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H18O/c1-9-5-4-6-12-10(2)7-13-11(3)8-16-15(13)14(9)12/h7-9H,4-6H2,1-3H3
Mol Wt
214.308
Cas Id
36061-18-4
Smiles
CC1CCCC2=C1C3=C(C=C2C)OC=C3C
Mol Log P
4.489440000000004
Version
v1,v2
In Ch Ikey
LBXSOZAXYXJJLL-UHFFFAOYSA-N
Ob Score
50.890884650.89088550.891
Suppress
0
Num Hdonors
0
Drug Likeness
0.629
Num Hacceptors
1
Isomeric Smiles
CC1CCCC2=C1C3=C(C=C2C)C(=CO3)C
Molecule Weight
214.33
Canonical Smiles
CC1CCCC2=C1C3=C(C=C2C)C(=CO3)C
Herb Alias Names
36061-18-43,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g][1]benzofuran3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo(g)(1)benzofuran(9S)-1,5,9-trimethyl-6,7,8,9-tetrahydrobenzo(e)(1)benzofuran(9S)-1,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuranCHEMBL399793
Molecular Weight
214.140
Molecular Weight
214.3
Molecular Formula
C15H18O
Molecular Formula
C15H18O
Molecular Formula
C15H18O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.934
Quantitative Estimate Of Drug Likeness（Qed）
0.629