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
- 24123
- Core Entity Id
- 29997
- Source Entity Count
- 1
- Preferred Name
- Lakoochin a
- Name En
- Pubchem Id
- 3012524
- Smiles Canonical
- CC(=CCC1=C(C(=C(C=C1OC)OC)CC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)C
- Molecular Formula
- C26H30O4
- Molecular Weight
- 406.5220
- Inchikey
- CHDJBHWCUVZCGP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C26H30O4/c1-16(2)7-11-20-23(28-5)15-24(29-6)21(12-8-17(3)4)26(20)25-13-18-9-10-19(27)14-22(18)30-25/h7-10,13-15,27H,11-12H2,1-6H3
- Isomeric Smiles
- CC(=CCC1=C(C(=C(C=C1OC)OC)CC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)C
- Cas Id
- Ob Score
- Mol Logp
- 6.8400
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.4360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lakoochin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lakoochin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
lakoochin a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl)-1-benzofuran-6-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-[3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-[3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl]benzofuran-6-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-[3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl]benzofuran-6-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Benzofuranol, 2-[3,5-dimethoxy-2,6-bis(3-methyl-2-butenyl)phenyl]-
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Benzofuranol, 2-[3,5-dimethoxy-2,6-bis(3-methyl-2-butenyl)phenyl]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
672948-77-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
672948-77-5
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50284005
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50284005
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL463296
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL463296
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl)-1-benzofuran-6-ol2-[3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol2-[3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl]benzofuran-6-ol6-Benzofuranol, 2-[3,5-dimethoxy-2,6-bis(3-methyl-2-butenyl)phenyl]-672948-77-5BDBM50284005CHEMBL463296
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032563
Npass
NPC148938
Tcmid
12448
Pub Chem
3012524
Tcmbank
TCMBANKIN042921
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H30O4/c1-16(2)7-11-20-23(28-5)15-24(29-6)21(12-8-17(3)4)26(20)25-13-18-9-10-19(27)14-22(18)30-25/h7-10,13-15,27H,11-12H2,1-6H3
Mol Wt
406.5220000000001
Smiles
CC(=CCC1=C(C(=C(C=C1OC)OC)CC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)C
Mol Log P
6.840000000000006
In Ch Ikey
CHDJBHWCUVZCGP-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/12453.mol2
Reference
3017
Num Hdonors
1
Drug Likeness
0.436
Num Hacceptors
4
Isomeric Smiles
CC(=CCC1=C(C(=C(C=C1OC)OC)CC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)C
Canonical Smiles
CC(=CCC1=C(C(=C(C=C1OC)OC)CC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)C
Herb Alias Names
2-[3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol2-(3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl)-1-benzofuran-6-olCHEMBL463296BDBM502840052-[3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl]benzofuran-6-ol6-Benzofuranol, 2-[3,5-dimethoxy-2,6-bis(3-methyl-2-butenyl)phenyl]-672948-77-5
Molecular Weight
406.5 g/mol
Molecular Formula
C26H30O4
Molecular Formula
C26H30O4
Num Rotatable Bonds
7