Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 6Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15328
- Core Entity Id
- 20204
- Source Entity Count
- 1
- Preferred Name
- Cowanin
- Name En
- Pubchem Id
- 11754819
- Smiles Canonical
- CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)OC)C)C
- Molecular Formula
- C29H34O6
- Molecular Weight
- 478.5850
- Inchikey
- GVDDDYKLKUMEGV-WOJGMQOQSA-N
- Inchi
- InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-25-23(15-22(31)29(20)34-6)35-24-14-21(30)19(12-10-17(3)4)27(32)26(24)28(25)33/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3/b18-11+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)OC)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.8155
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.2430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cowanin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cowanin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cowanin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cowanin
Role
preferred
Source
TCMBank
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
1-((2E)-3,7-dimethylocta-2,6-dienyl)-3,6,8-trihydroxy-2-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-2-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
21044-85-9
Role
alias
Source
HERB_v2
Preferred
No
Name
21044-85-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50370158
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50370158
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL458845
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL458845
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC752810
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC752810
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*1-((2E)-3,7-dimethylocta-2,6-dienyl)-3,6,8-trihydroxy-2-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-2-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one21044-85-9BDBM50370158CHEMBL458845NSC752810
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021629
Npass
NPC40491
Tcmid
4200
Pub Chem
11754819
Tcmbank
TCMBANKIN039558
Etcm Ingredient
Cowanin
Itcmdb Generated
ITX-INGREDIENT-2AAEBF385E1B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-25-23(15-22(31)29(20)34-6)35-24-14-21(30)19(12-10-17(3)4)27(32)26(24)28(25)33/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3/b18-11+
Mol Wt
478.5850000000003
Mol Log P
6.815500000000008
In Ch Ikey
GVDDDYKLKUMEGV-WOJGMQOQSA-N
Tcm Name
甜山竹子
Tcm Name2
TIAN SHAN ZHU ZI
Mol2 Path
/TCM_database/2007_3d_all/04200.mol2
Reference
5281, 5319
Num Hdonors
3
Tcm Name En
Dulcin Garcinia*
Drug Likeness
0.243
Num Hacceptors
6
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)OC)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)OC)C)C
Herb Alias Names
1-((2E)-3,7-dimethylocta-2,6-dienyl)-3,6,8-trihydroxy-2-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-2-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one21044-85-9CHEMBL458845BDBM50370158NSC752810NSC-752810
Molecular Weight
478.240
Molecular Weight
478.6 g/mol
Molecular Formula
C29H34O6
Molecular Formula
C29H34O6
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.698
Quantitative Estimate Of Drug Likeness（Qed）
0.239