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
- 17659
- Core Entity Id
- 22799
- Source Entity Count
- 1
- Preferred Name
- Dulcisxanthone f
- Name En
- Pubchem Id
- 11704200
- Smiles Canonical
- CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C4C=CC(OC4=C(C=C3O2)O)(C)C)OC)C
- Molecular Formula
- C24H24O6
- Molecular Weight
- 408.4500
- Inchikey
- SDRFUMALSDZIDC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C24H24O6/c1-12(2)6-7-13-16(28-5)11-18-20(21(13)26)22(27)19-14-8-9-24(3,4)30-23(14)15(25)10-17(19)29-18/h6,8-11,25-26H,7H2,1-5H3
- Isomeric Smiles
- CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C4=C3C=CC(O4)(C)C)O)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 5.0589
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dulcisxanthone f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dulcisxanthone f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
dulcisxanthone f
Role
preferred
Source
TCMBank
Preferred
Yes
Name
CHEMBL3421822
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3421822
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
CHEMBL3421822
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024555
Npass
NPC239752
Tcmid
6630
Pub Chem
11704200
Tcmbank
TCMBANKIN038306
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H24O6/c1-12(2)6-7-13-16(28-5)11-18-20(21(13)26)22(27)19-14-8-9-24(3,4)30-23(14)15(25)10-17(19)29-18/h6,8-11,25-26H,7H2,1-5H3
Mol Wt
408.4500000000002
Smiles
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C4C=CC(OC4=C(C=C3O2)O)(C)C)OC)C
Mol Log P
5.058900000000005
In Ch Ikey
SDRFUMALSDZIDC-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/06631.mol2
Reference
4422
Num Hdonors
2
Drug Likeness
0.465
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C4=C3C=CC(O4)(C)C)O)OC)C
Canonical Smiles
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C4=C3C=CC(O4)(C)C)O)OC)C
Herb Alias Names
CHEMBL3421822
Molecular Formula
C24H24O6
Molecular Formula
C24H24O6
Num Rotatable Bonds
3