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
- 17656
- Core Entity Id
- 22796
- Source Entity Count
- 1
- Preferred Name
- Dulcisxanthone b
- Name En
- Pubchem Id
- 49798966
- Smiles Canonical
- CC(=CCCC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3CC=C(C)CCC=C(C)C)O)O)OC)C)C
- Molecular Formula
- C34H42O6
- Molecular Weight
- 546.7040
- Inchikey
- UFSZVMQWXGMGET-HOFJZWJUSA-N
- Inchi
- InChI=1S/C34H42O6/c1-20(2)10-8-12-22(5)14-16-24-27(39-7)19-29-31(33(24)37)34(38)30-25(32(36)26(35)18-28(30)40-29)17-15-23(6)13-9-11-21(3)4/h10-11,14-15,18-19,35-37H,8-9,12-13,16-17H2,1-7H3/b22-14+,23-15+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3C/C=C(\C)/CCC=C(C)C)O)O)OC)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 8.5420
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 11
- Drug Likeness
- 0.1270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dulcisxanthone B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dulcisxanthone b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dulcisxanthone b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
甜山竹子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TIAN SHAN ZHU ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Dulcin Garcinia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CHEMBL1171855
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1171855
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
甜山竹子TIAN SHAN ZHU ZIDulcin Garcinia*CHEMBL1171855
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024551
Npass
NPC150168
Tcmid
6626
Pub Chem
49798966
Tcmbank
TCMBANKIN042096
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C34H42O6/c1-20(2)10-8-12-22(5)14-16-24-27(39-7)19-29-31(33(24)37)34(38)30-25(32(36)26(35)18-28(30)40-29)17-15-23(6)13-9-11-21(3)4/h10-11,14-15,18-19,35-37H,8-9,12-13,16-17H2,1-7H3/b22-14+,23-15+
Mol Wt
546.7040000000003
Mol Log P
8.542000000000005
In Ch Ikey
UFSZVMQWXGMGET-HOFJZWJUSA-N
Tcm Name
甜山竹子
Tcm Name2
TIAN SHAN ZHU ZI
Mol2 Path
/TCM_database/2007_3d_all/06627.mol2
Reference
5319
Num Hdonors
3
Tcm Name En
Dulcin Garcinia*
Drug Likeness
0.127
Num Hacceptors
6
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3C/C=C(\C)/CCC=C(C)C)O)O)OC)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3CC=C(C)CCC=C(C)C)O)O)OC)C)C
Herb Alias Names
CHEMBL1171855
Molecular Formula
C34H42O6
Num Rotatable Bonds
11