Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39101
- Core Entity Id
- 70708
- Source Entity Count
- 1
- Preferred Name
- 1,8-dihydroxy-3,4,7-trimethoxyxanthone
- Name En
- Pubchem Id
- 5316838
- Smiles Canonical
- COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=CC(=C3OC)OC)O)O
- Molecular Formula
- C16H14O7
- Molecular Weight
- 318.2810
- Inchikey
- ZNARIKIJOHPGTA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O7/c1-20-9-5-4-8-12(13(9)18)14(19)11-7(17)6-10(21-2)15(22-3)16(11)23-8/h4-6,17-18H,1-3H3
- Isomeric Smiles
- COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=CC(=C3OC)OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3832
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,8-dihydroxy-3,4,7-trimethoxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,8-dihydroxy-3,4,7-trimethoxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,8-dihydroxy-3,4,7-trimethoxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,8-dihydroxy-2,5,6-trimethoxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,8-dihydroxy-2,5,6-trimethoxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,8-dihydroxy-2,5,6-trimethoxyxanthen-9-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002108
Tcmid
6165
Pub Chem
5316838
Tcmbank
TCMBANKIN045768
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H14O7/c1-20-9-5-4-8-12(13(9)18)14(19)11-7(17)6-10(21-2)15(22-3)16(11)23-8/h4-6,17-18H,1-3H3
Mol Wt
318.281
Smiles
COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=CC(=C3OC)OC)O)O
Mol Log P
2.383200000000001
In Ch Ikey
ZNARIKIJOHPGTA-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/06166.mol2
Reference
2237
Num Hdonors
2
Drug Likeness
0.715
Num Hacceptors
7
Isomeric Smiles
COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=CC(=C3OC)OC)O)O
Canonical Smiles
COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=CC(=C3OC)OC)O)O
Herb Alias Names
1,8-dihydroxy-2,5,6-trimethoxyxanthen-9-one
Molecular Weight
318.28 g/mol
Molecular Formula
C16H14O7
Molecular Formula
C16H14O7
Num Rotatable Bonds
3