Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13486
- Core Entity Id
- 18159
- Source Entity Count
- 1
- Preferred Name
- Caloxanthone e
- Name En
- Pubchem Id
- 86180520
- Smiles Canonical
- COC1=C(C(=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)O)O)O)O
- Molecular Formula
- C14H10O7
- Molecular Weight
- 290.2270
- Inchikey
- LOJMAPGMVDHGEL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10O7/c1-20-9-4-6-11(17)10-7(16)2-5(15)3-8(10)21-14(6)13(19)12(9)18/h2-4,15-16,18-19H,1H3
- Isomeric Smiles
- COC1=C(C(=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.7772
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Caloxanthone E
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Caloxanthone e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Caloxanthone e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
caloxanthone e
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019417
Npass
NPC33319
Tcmid
3000
Pub Chem
86180520
Tcmbank
TCMBANKIN046856
Etcm Ingredient
Caloxanthone E
Itcmdb Generated
ITX-INGREDIENT-E0BD1D87B8DA
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H10O7/c1-20-9-4-6-11(17)10-7(16)2-5(15)3-8(10)21-14(6)13(19)12(9)18/h2-4,15-16,18-19H,1H3
Mol Wt
290.227
Smiles
COC1=C(C(=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Mol Log P
1.777200000000001
In Ch Ikey
LOJMAPGMVDHGEL-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/03000.mol2
Reference
5050
Num Hdonors
4
Drug Likeness
0.398
Num Hacceptors
7
Isomeric Smiles
COC1=C(C(=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Canonical Smiles
COC1=C(C(=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Molecular Weight
460.190
Molecular Weight
290.22 g/mol
Molecular Formula
C28H28O6
Molecular Formula
C14H10O7
Molecular Formula
C14H10O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.831
Quantitative Estimate Of Drug Likeness（Qed）
0.348