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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38349
- Core Entity Id
- 63989
- Source Entity Count
- 1
- Preferred Name
- 1,3-dihydroxy-6,7-dim ethoxy-2,8-diprenylxan-thone
- Name En
- Pubchem Id
- 44191407
- Smiles Canonical
- CC(=CCC1=C(C(=C2C(=C1)C(=O)C3=C(C(=C(C=C3O2)OC)CC=C(C)C)O)O)OC)C
- Molecular Formula
- C25H28O6
- Molecular Weight
- 424.4930
- Inchikey
- IRSFNWZFZSTWDA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H28O6/c1-13(2)7-9-15-11-17-22(27)20-19(31-25(17)23(28)24(15)30-6)12-18(29-5)16(21(20)26)10-8-14(3)4/h7-8,11-12,26,28H,9-10H2,1-6H3
- Isomeric Smiles
- CC(=CCC1=CC2=C(C(=C1OC)O)OC3=CC(=C(C(=C3C2=O)O)CC=C(C)C)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 5.3920
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,3-dihydroxy-6,7-dim ethoxy-2,8-diprenylxan-thone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,3-dihydroxy-6,7-dim ethoxy-2,8-diprenylxan-thone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3-dihydroxy-6,7-dim ethoxy-2,8-diprenylxan-thone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001194
Tcmid
5826
Pub Chem
44191407
Tcmbank
TCMBANKIN009596
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H28O6/c1-13(2)7-9-15-11-17-22(27)20-19(31-25(17)23(28)24(15)30-6)12-18(29-5)16(21(20)26)10-8-14(3)4/h7-8,11-12,26,28H,9-10H2,1-6H3
Mol Wt
424.4930000000002
Smiles
CC(=CCC1=C(C(=C2C(=C1)C(=O)C3=C(C(=C(C=C3O2)OC)CC=C(C)C)O)O)OC)C
Mol Log P
5.392000000000004
In Ch Ikey
IRSFNWZFZSTWDA-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.407
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=CC2=C(C(=C1OC)O)OC3=CC(=C(C(=C3C2=O)O)CC=C(C)C)OC)C
Canonical Smiles
CC(=CCC1=CC2=C(C(=C1OC)O)OC3=CC(=C(C(=C3C2=O)O)CC=C(C)C)OC)C
Molecular Formula
C25H28O6
Molecular Formula
C25H28O6
Num Rotatable Bonds
6