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
- 24124
- Core Entity Id
- 29998
- Source Entity Count
- 1
- Preferred Name
- Lakoochin b
- Name En
- Pubchem Id
- 6479925
- Smiles Canonical
- CC(=CCCC(=CCC1=C(C=C(C(=C1C2=CC3=C(O2)C=C(C=C3)O)CC=C(C)C)O)O)C)C
- Molecular Formula
- C29H34O4
- Molecular Weight
- 446.5870
- Inchikey
- SYIDABHGIYOYPG-KEBDBYFISA-N
- Inchi
- InChI=1S/C29H34O4/c1-18(2)7-6-8-20(5)10-14-24-26(32)17-25(31)23(13-9-19(3)4)29(24)28-15-21-11-12-22(30)16-27(21)33-28/h7,9-12,15-17,30-32H,6,8,13-14H2,1-5H3/b20-10+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C(C=C(C(=C1C2=CC3=C(O2)C=C(C=C3)O)CC=C(C)C)O)O)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 7.9605
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.3070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lakoochin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lakoochin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lakoochin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
拉口沙面包果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LA KOU SHA MIAN BAO GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lakoocha Artocarpus*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,3-Benzenediol, 4-[(2E)-3,7-dimethyl-2,6-octadienyl]-5-(6-hydroxy-2-benzofuranyl)-6-(3-methyl-2-butenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-Benzenediol, 4-[(2E)-3,7-dimethyl-2,6-octadienyl]-5-(6-hydroxy-2-benzofuranyl)-6-(3-methyl-2-butenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-((2E)-3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-1-benzofuran-2-yl)-6-(3-methylbut-2-enyl)benzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxy-1-benzofuran-2-yl)-6-(3-methylbut-2-enyl)benzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxybenzofuran-2-yl)-6-(3-methylbut-2-enyl)benzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxybenzofuran-2-yl)-6-(3-methylbut-2-enyl)benzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
672948-78-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
672948-78-6
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50284018
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50284018
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL465156
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL465156
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
拉口沙面包果LA KOU SHA MIAN BAO GUOLakoocha Artocarpus*1,3-Benzenediol, 4-[(2E)-3,7-dimethyl-2,6-octadienyl]-5-(6-hydroxy-2-benzofuranyl)-6-(3-methyl-2-butenyl)-4-((2E)-3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-1-benzofuran-2-yl)-6-(3-methylbut-2-enyl)benzene-1,3-diol4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxy-1-benzofuran-2-yl)-6-(3-methylbut-2-enyl)benzene-1,3-diol4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxybenzofuran-2-yl)-6-(3-methylbut-2-enyl)benzene-1,3-diol672948-78-6BDBM50284018CHEMBL465156
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032564
Npass
NPC213936
Tcmid
12449
Pub Chem
6479925
Tcmbank
TCMBANKIN039934
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C29H34O4/c1-18(2)7-6-8-20(5)10-14-24-26(32)17-25(31)23(13-9-19(3)4)29(24)28-15-21-11-12-22(30)16-27(21)33-28/h7,9-12,15-17,30-32H,6,8,13-14H2,1-5H3/b20-10+
Mol Wt
446.5870000000002
Mol Log P
7.960500000000009
In Ch Ikey
SYIDABHGIYOYPG-KEBDBYFISA-N
Tcm Name
拉口沙面包果
Tcm Name2
LA KOU SHA MIAN BAO GUO
Mol2 Path
/TCM_database/2007_3d_all/12454.mol2
Reference
3017
Num Hdonors
3
Tcm Name En
Lakoocha Artocarpus*
Drug Likeness
0.307
Num Hacceptors
4
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C=C(C(=C1C2=CC3=C(O2)C=C(C=C3)O)CC=C(C)C)O)O)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C=C(C(=C1C2=CC3=C(O2)C=C(C=C3)O)CC=C(C)C)O)O)C)C
Herb Alias Names
4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxy-1-benzofuran-2-yl)-6-(3-methylbut-2-enyl)benzene-1,3-diol4-((2E)-3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-1-benzofuran-2-yl)-6-(3-methylbut-2-enyl)benzene-1,3-diolCHEMBL465156BDBM502840181,3-Benzenediol, 4-[(2E)-3,7-dimethyl-2,6-octadienyl]-5-(6-hydroxy-2-benzofuranyl)-6-(3-methyl-2-butenyl)-4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxybenzofuran-2-yl)-6-(3-methylbut-2-enyl)benzene-1,3-diol672948-78-6
Molecular Weight
446.6 g/mol
Molecular Formula
C29H34O4
Num Rotatable Bonds
8