Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4407
- Core Entity Id
- 8087
- Source Entity Count
- 1
- Preferred Name
- 3-geranyl-2,4,6-trihydroxybenzophenone
- Name En
- Pubchem Id
- 6477676
- Smiles Canonical
- CC(=CCCC(=CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC=CC=C2)O)C)C
- Molecular Formula
- C23H26O4
- Molecular Weight
- 366.4570
- Inchikey
- ZAIQNYMNZNXUAF-FOWTUZBSSA-N
- Inchi
- InChI=1S/C23H26O4/c1-15(2)8-7-9-16(3)12-13-18-19(24)14-20(25)21(23(18)27)22(26)17-10-5-4-6-11-17/h4-6,8,10-12,14,24-25,27H,7,9,13H2,1-3H3/b16-12+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C(C(=C(C=C1O)O)C(=O)C2=CC=CC=C2)O)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.2696
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.4610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-geranyl-2,4,6-trihydroxybenzophenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-geranyl-2,4,6-trihydroxybenzophenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-geranyl-2,4,6-trihydroxybenzophenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
70219-87-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
70219-87-3
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:65958
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:65958
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL481047
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL481047
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID901135287
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID901135287
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27134459
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27134459
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL24075663
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL24075663
Role
alias
Source
itcmdb_public
Preferred
No
Name
[3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4,6-trihydroxyphenyl]phenylmethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
[3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4,6-trihydroxyphenyl]phenylmethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-phenylmethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-phenylmethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}(phenyl)methanone
Role
alias
Source
HERB_v2
Preferred
No
Name
{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}(phenyl)methanone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
70219-87-3CHEBI:65958CHEMBL481047DTXSID901135287Q27134459SCHEMBL24075663[3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4,6-trihydroxyphenyl]phenylmethanone[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-phenylmethanone{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}(phenyl)methanone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008568
Npass
NPC105157
Tcm Id
1386313864
Pub Chem
6477676
Tcmbank
TCMBANKIN000148
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H26O4/c1-15(2)8-7-9-16(3)12-13-18-19(24)14-20(25)21(23(18)27)22(26)17-10-5-4-6-11-17/h4-6,8,10-12,14,24-25,27H,7,9,13H2,1-3H3/b16-12+
Mol Wt
366.4570000000001
Smiles
CC(=CCCC(=CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC=CC=C2)O)C)C
Mol Log P
5.269600000000007
In Ch Ikey
ZAIQNYMNZNXUAF-FOWTUZBSSA-N
Num Hdonors
3
Drug Likeness
0.461
Num Hacceptors
4
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C(=C(C=C1O)O)C(=O)C2=CC=CC=C2)O)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC=CC=C2)O)C)C
Herb Alias Names
CHEBI:65958[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-phenylmethanone{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}(phenyl)methanoneCHEMBL481047SCHEMBL24075663DTXSID90113528770219-87-3Q27134459[3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4,6-trihydroxyphenyl]phenylmethanone
Molecular Weight
366.4 g/mol
Molecular Formula
C23H26O4
Molecular Formula
C23H26O4
Num Rotatable Bonds
7