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
- 39023
- Core Entity Id
- 69912
- Source Entity Count
- 1
- Preferred Name
- 1,7-dihydroxy-3,4,8-trimethoxy xanthones
- Name En
- Pubchem Id
- 76317201
- Smiles Canonical
- COC1=C(C2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3OC)O)OC
- Molecular Formula
- C16H14O7
- Molecular Weight
- 318.2810
- Inchikey
- YOESAHHPMBOZJU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O7/c1-20-10-6-8(18)11-13(19)12-9(23-16(11)15(10)22-3)5-4-7(17)14(12)21-2/h4-6,17-18H,1-3H3
- Isomeric Smiles
- COC1=C(C2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3OC)O)OC
- 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
1,7-dihydroxy-3,4,8- trimethoxy xanthones
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,7-dihydroxy-3,4,8-trimethoxy xanthones
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,7-dihydroxy-3,4,8-trimethoxy xanthones
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
BDBM50611848
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50611848
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3093493
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3093493
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,7-dihydroxy-3,4,8- trimethoxy xanthonesBDBM50611848CHEMBL3093493
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002013
Npass
NPC285144
Tcmid
43027
Pub Chem
76317201
Tcmbank
TCMBANKIN015778
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H14O7/c1-20-10-6-8(18)11-13(19)12-9(23-16(11)15(10)22-3)5-4-7(17)14(12)21-2/h4-6,17-18H,1-3H3
Mol Wt
318.281
Smiles
COC1=C(C2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3OC)O)OC
Mol Log P
2.3832
In Ch Ikey
YOESAHHPMBOZJU-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.715
Num Hacceptors
7
Isomeric Smiles
COC1=C(C2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3OC)O)OC
Canonical Smiles
COC1=C(C2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3OC)O)OC
Herb Alias Names
CHEMBL3093493BDBM50611848
Molecular Formula
C16H14O7
Molecular Formula
C16H14O7
Num Rotatable Bonds
3