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
- 15326
- Core Entity Id
- 20202
- Source Entity Count
- 1
- Preferred Name
- Cowagarcinone d
- Name En
- Pubchem Id
- 101741108
- Smiles Canonical
- CC(=CCCC1(C=CC2=C(O1)C(=CC3=C2C(=O)C4=C(O3)C=C(C(=C4O)CC=C(C)C)O)O)C)C
- Molecular Formula
- C28H30O6
- Molecular Weight
- 462.5420
- Inchikey
- QAHKVGNDCXMIJR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C28H30O6/c1-15(2)7-6-11-28(5)12-10-18-23-21(14-20(30)27(18)34-28)33-22-13-19(29)17(9-8-16(3)4)25(31)24(22)26(23)32/h7-8,10,12-14,29-31H,6,9,11H2,1-5H3
- Isomeric Smiles
- CC(=CCCC1(C=CC2=C(O1)C(=CC3=C2C(=O)C4=C(O3)C=C(C(=C4O)CC=C(C)C)O)O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.4824
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cowagarcinone D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cowagarcinone D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cowagarcinone d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cowagarcinone d
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
Aliases
Additional names normalized into the restored final schema.
云南山竹子YUN NAN SHAN ZHU ZIYunnan Garcinia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021627
Npass
NPC217370
Tcmid
4198
Pub Chem
101741108
Tcmbank
TCMBANKIN039011
Etcm Ingredient
Cowagarcinone D
Itcmdb Generated
ITX-INGREDIENT-22DBFA64FDA2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H30O6/c1-15(2)7-6-11-28(5)12-10-18-23-21(14-20(30)27(18)34-28)33-22-13-19(29)17(9-8-16(3)4)25(31)24(22)26(23)32/h7-8,10,12-14,29-31H,6,9,11H2,1-5H3
Mol Wt
462.5420000000003
Mol Log P
6.482400000000007
In Ch Ikey
QAHKVGNDCXMIJR-UHFFFAOYSA-N
Tcm Name
云南山竹子
Tcm Name2
YUN NAN SHAN ZHU ZI
Mol2 Path
/TCM_database/2007_3d_all/04198.mol2
Reference
5281
Num Hdonors
3
Tcm Name En
Yunnan Garcinia
Drug Likeness
0.296
Num Hacceptors
6
Isomeric Smiles
CC(=CCCC1(C=CC2=C(O1)C(=CC3=C2C(=O)C4=C(O3)C=C(C(=C4O)CC=C(C)C)O)O)C)C
Canonical Smiles
CC(=CCCC1(C=CC2=C(O1)C(=CC3=C2C(=O)C4=C(O3)C=C(C(=C4O)CC=C(C)C)O)O)C)C
Molecular Weight
462.200
Molecular Weight
462.5 g/mol
Molecular Formula
C28H30O6
Molecular Formula
C28H30O6
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.868
Quantitative Estimate Of Drug Likeness（Qed）
0.296