Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8351
- Core Entity Id
- 12452
- Source Entity Count
- 1
- Preferred Name
- 7-geranyloxy-1,3-dihydroxyxanthone
- Name En
- Pubchem Id
- 5317563
- Smiles Canonical
- CC(=CCCC(=CCOC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O)C)C
- Molecular Formula
- C23H24O5
- Molecular Weight
- 380.4400
- Inchikey
- WOPKDKPJTJHLPB-OQLLNIDSSA-N
- Inchi
- InChI=1S/C23H24O5/c1-14(2)5-4-6-15(3)9-10-27-17-7-8-20-18(13-17)23(26)22-19(25)11-16(24)12-21(22)28-20/h5,7-9,11-13,24-25H,4,6,10H2,1-3H3/b15-9+
- Isomeric Smiles
- CC(=CCC/C(=C/COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.4289
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Geranyloxy-1,3-dihydroxyxanthone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-geranyloxy-1,3-dihydroxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-geranyloxy-1,3-dihydroxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-geranyloxy-1,3-dihydroxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-{[(2e)-3,7-dimethyl-2,6-octadien-1-yl]oxy}-1,3-dihydroxy-9h-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-{[(2e)-3,7-dimethyl-2,6-octadien-1-yl]oxy}-1,3-dihydroxy-9h-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50454323
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50454323
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:189485
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:189485
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4209191
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4209191
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00385176-01!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00385176-01!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00097025
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00097025
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-one7-{[(2e)-3,7-dimethyl-2,6-octadien-1-yl]oxy}-1,3-dihydroxy-9h-xanthen-9-oneBDBM50454323CHEBI:189485CHEMBL4209191NCGC00385176-01!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-oneNS00097025
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013191
Npass
NPC46080
Tcmid
8322
Pub Chem
5317563
Tcmbank
TCMBANKIN040003
Etcm Ingredient
7-Geranyloxy-1,3-dihydroxyxanthone
Itcmdb Generated
ITX-INGREDIENT-3C4A19135A34
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H24O5/c1-14(2)5-4-6-15(3)9-10-27-17-7-8-20-18(13-17)23(26)22-19(25)11-16(24)12-21(22)28-20/h5,7-9,11-13,24-25H,4,6,10H2,1-3H3/b15-9+
Mol Wt
380.4400000000002
Smiles
CC(=CCCC(=CCOC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O)C)C
Mol Log P
5.428900000000006
In Ch Ikey
WOPKDKPJTJHLPB-OQLLNIDSSA-N
Mol2 Path
/TCM_database/2007_3d_all/08323.mol2
Reference
1907
Num Hdonors
2
Drug Likeness
0.44
Num Hacceptors
5
Isomeric Smiles
CC(=CCC/C(=C/COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O)/C)C
Canonical Smiles
CC(=CCCC(=CCOC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O)C)C
Herb Alias Names
CHEMBL4209191CHEBI:1894857-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-oneBDBM50454323NS000970257-{[(2e)-3,7-dimethyl-2,6-octadien-1-yl]oxy}-1,3-dihydroxy-9h-xanthen-9-oneNCGC00385176-01!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-one
Molecular Weight
380.160
Molecular Weight
380.4 g/mol
Molecular Formula
C23H24O5
Molecular Formula
C23H24O5
Molecular Formula
C23H24O5
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.933
Quantitative Estimate Of Drug Likeness（Qed）
0.440