Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15325
- Core Entity Id
- 20201
- Source Entity Count
- 1
- Preferred Name
- Cowagarcinone b
- Name En
- Pubchem Id
- 5316764
- Smiles Canonical
- CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)OC)OC)C
- Molecular Formula
- C20H20O6
- Molecular Weight
- 356.3740
- Inchikey
- VEQACXWBQPLDPZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H20O6/c1-10(2)5-6-11-14(24-3)9-17-18(19(11)22)20(23)12-7-16(25-4)13(21)8-15(12)26-17/h5,7-9,21-22H,6H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)OC)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 3.8833
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cowagarcinone B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cowagarcinone B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cowagarcinone b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cowagarcinone b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
倒捻子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DAO NIAN ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Mangosteen
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)xanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)xanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-enyl)-xanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-enyl)-xanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,6-dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,6-dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
462656-80-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
462656-80-0
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
倒捻子DAO NIAN ZIMangosteen1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)xanthone1,6-Dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-enyl)-xanthone1,6-dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one462656-80-0
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021625HBIN021626
Npass
NPC283262
Tcmid
41964197
Pub Chem
5316764
Tcmbank
TCMBANKIN037422TCMBANKIN058779
Etcm Ingredient
Cowagarcinone B
Itcmdb Generated
ITX-INGREDIENT-09720A67EAACITX-INGREDIENT-9A4178A472B8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O6/c1-10(2)5-6-11-14(24-3)9-17-18(19(11)22)20(23)12-7-16(25-4)13(21)8-15(12)26-17/h5,7-9,21-22H,6H2,1-4H3
Mol Wt
356.3740000000001
Smiles
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)OC)OC)C
Mol Log P
3.883300000000003
In Ch Ikey
VEQACXWBQPLDPZ-UHFFFAOYSA-N
Tcm Name
倒捻子
Tcm Name2
DAO NIAN ZI
Mol2 Path
/TCM_database/2007_3d_all/04196.mol2
Reference
1964, 5281, 5319
Num Hdonors
2
Tcm Name En
Mangosteen
Drug Likeness
0.545
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)OC)OC)C
Canonical Smiles
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)OC)OC)C
Herb Alias Names
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-enyl)-xanthone1,6-dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)xanthone1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one462656-80-0
Molecular Weight
356.130
Molecular Weight
356.4 g/mol
Molecular Formula
C20H20O6
Molecular Formula
C20H20O6
Molecular Formula
C20H20O6
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.668
Quantitative Estimate Of Drug Likeness（Qed）
0.545