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
- 20368
- Core Entity Id
- 25819
- Source Entity Count
- 1
- Preferred Name
- Globuxanthone
- Name En
- Pubchem Id
- 60148490
- Smiles Canonical
- CC(C)(C=C)C1=CC(=C(C2=C1OC3=C(C2=O)C=CC=C3O)O)O
- Molecular Formula
- C18H16O5
- Molecular Weight
- 312.3210
- Inchikey
- OBZOCMORJAPERH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O5/c1-4-18(2,3)10-8-12(20)15(22)13-14(21)9-6-5-7-11(19)16(9)23-17(10)13/h4-8,19-20,22H,1H2,2-3H3
- Isomeric Smiles
- CC(C)(C=C)C1=CC(=C(C2=C1OC3=C(C2=O)C=CC=C3O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.5266
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Globuxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Globuxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
globuxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
BDBM50268297
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50268297
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4068177
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4068177
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
BDBM50268297CHEMBL4068177
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027972
Npass
NPC109713
Tcmid
8557
Pub Chem
60148490
Tcmbank
TCMBANKIN039417
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H16O5/c1-4-18(2,3)10-8-12(20)15(22)13-14(21)9-6-5-7-11(19)16(9)23-17(10)13/h4-8,19-20,22H,1H2,2-3H3
Mol Wt
312.321
Smiles
CC(C)(C=C)C1=CC(=C(C2=C1OC3=C(C2=O)C=CC=C3O)O)O
Mol Log P
3.526600000000004
In Ch Ikey
OBZOCMORJAPERH-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/08558.mol2
Reference
1521, 3902
Num Hdonors
3
Drug Likeness
0.382
Num Hacceptors
5
Isomeric Smiles
CC(C)(C=C)C1=CC(=C(C2=C1OC3=C(C2=O)C=CC=C3O)O)O
Canonical Smiles
CC(C)(C=C)C1=CC(=C(C2=C1OC3=C(C2=O)C=CC=C3O)O)O
Herb Alias Names
CHEMBL4068177BDBM50268297
Molecular Weight
312.3 g/mol
Molecular Formula
C18H16O5
Molecular Formula
C18H16O5
Num Rotatable Bonds
2