Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15330
- Core Entity Id
- 20207
- Source Entity Count
- 1
- Preferred Name
- Cowaxanthone
- Name En
- Pubchem Id
- 10386850
- Smiles Canonical
- CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC3=CC(=C(C=C3C2=O)OC)O)O)C)C
- Molecular Formula
- C24H26O6
- Molecular Weight
- 410.4660
- Inchikey
- VEGUCVDYIMCIAZ-RIYZIHGNSA-N
- Inchi
- InChI=1S/C24H26O6/c1-13(2)6-5-7-14(3)8-9-15-17(25)11-21-22(23(15)27)24(28)16-10-20(29-4)18(26)12-19(16)30-21/h6,8,10-12,25-27H,5,7,9H2,1-4H3/b14-8+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)OC3=CC(=C(C=C3C2=O)OC)O)O)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.3068
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cowaxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cowaxanthone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cowaxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cowaxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
云南山竹子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUN NAN SHAN ZHU ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yunnan Garcinia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-((2E)-3,7-dimethylocta-2,6-dienyl)-1,3,6-trihydroxy-7-methoxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-((2E)-3,7-dimethylocta-2,6-dienyl)-1,3,6-trihydroxy-7-methoxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
21044-78-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
21044-78-0
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50611898
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50611898
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL517161
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL517161
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
云南山竹子YUN NAN SHAN ZHU ZIYunnan Garcinia2-((2E)-3,7-dimethylocta-2,6-dienyl)-1,3,6-trihydroxy-7-methoxyxanthen-9-one21044-78-0BDBM50611898CHEMBL517161
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021631
Npass
NPC262286
Tcmid
4202
Pub Chem
10386850
Tcmbank
TCMBANKIN038995
Etcm Ingredient
Cowaxanthone
Itcmdb Generated
ITX-INGREDIENT-7BFAB4058C64
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H26O6/c1-13(2)6-5-7-14(3)8-9-15-17(25)11-21-22(23(15)27)24(28)16-10-20(29-4)18(26)12-19(16)30-21/h6,8,10-12,25-27H,5,7,9H2,1-4H3/b14-8+
Mol Wt
410.4660000000002
Mol Log P
5.306800000000006
In Ch Ikey
VEGUCVDYIMCIAZ-RIYZIHGNSA-N
Tcm Name
云南山竹子
Tcm Name2
YUN NAN SHAN ZHU ZI
Mol2 Path
/TCM_database/2007_3d_all/04202.mol2
Reference
4422, 5281, 5319
Num Hdonors
3
Tcm Name En
Yunnan Garcinia
Drug Likeness
0.376
Num Hacceptors
6
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)OC3=CC(=C(C=C3C2=O)OC)O)O)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC3=CC(=C(C=C3C2=O)OC)O)O)C)C
Herb Alias Names
2-((2E)-3,7-dimethylocta-2,6-dienyl)-1,3,6-trihydroxy-7-methoxyxanthen-9-one2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,6-trihydroxy-7-methoxyxanthen-9-oneCHEMBL517161BDBM5061189821044-78-0
Molecular Weight
410.170
Molecular Weight
410.5 g/mol
Molecular Formula
C24H26O6
Molecular Formula
C24H26O6
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.788
Quantitative Estimate Of Drug Likeness（Qed）
0.376