Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 51313
- Core Entity Id
- 94324
- Source Entity Count
- 1
- Preferred Name
- Garcinone B
- Name En
- Pubchem Id
- 5495928
- Smiles Canonical
- CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C(=C3)O)OC(C=C4)(C)C)O)C
- Molecular Formula
- C23H22O6
- Molecular Weight
- 394.1400
- Inchikey
- HVXHJNVYRXRHNX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H22O6/c1-11(2)5-6-12-14(24)9-17-19(20(12)26)21(27)18-13-7-8-23(3,4)29-22(13)15(25)10-16(18)28-17/h5,7-10,24-26H,6H2,1-4H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.3000
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 96.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Garcinone B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Garcinone B
Role
preferred
Source
ETCM_v2
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
Aliases
Additional names normalized into the restored final schema.
倒捻子DAO NIAN ZIMangosteen
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN038203
Etcm Ingredient
Garcinone B
Itcmdb Generated
ITX-INGREDIENT-248E4CA06A64ITX-INGREDIENT-FF04F6861AFA
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
倒捻子
Tcm Name2
DAO NIAN ZI
Mol2 Path
/TCM_database/2007_3d_all/08219.mol2
Reference
1521, 1619, 3066, 4358, 4422, 4423, 5319
Tcm Name En
Mangosteen
Molecular Weight
394.140
Molecular Formula
C23H22O6
Fda Maximum Daily Dose (Fdamdd)
0.818
Quantitative Estimate Of Drug Likeness（Qed）
0.428