Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19874
- Core Entity Id
- 25271
- Source Entity Count
- 1
- Preferred Name
- Garcinone c
- Name En
- Pubchem Id
- 44159808
- Smiles Canonical
- CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CCC(C)(C)O)O)C
- Molecular Formula
- C23H26O7
- Molecular Weight
- 414.4540
- Inchikey
- HLOCLVMUASBDDP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H26O7/c1-11(2)5-6-12-14(24)9-17-19(21(12)27)22(28)18-13(7-8-23(3,4)29)20(26)15(25)10-16(18)30-17/h5,9-10,24-27,29H,6-8H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CCC(C)(C)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.9808
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Garcinone C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Garcinone C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Garcinone c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Garcinone c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
藤黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TENG HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Gamboge Tree Resin
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,3,6,7-TETRAHYDROXY-8-(3-HYDROXY-3-METHYLBUTYL)-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,6,7-TETRAHYDROXY-8-(3-HYDROXY-3-METHYLBUTYL)-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
76996-27-5
Role
alias
Source
HERB_v2
Preferred
No
Name
76996-27-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:175308
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:175308
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4440642
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4440642
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID50608419
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID50608419
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60657670
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60657670
Role
alias
Source
itcmdb_public
Preferred
No
Name
GarcinoneC
Role
alias
Source
HERB_v2
Preferred
No
Name
GarcinoneC
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
藤黄TENG HUANGGamboge Tree Resin1,3,6,7-TETRAHYDROXY-8-(3-HYDROXY-3-METHYLBUTYL)-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-enyl)xanthen-9-one76996-27-5CHEBI:175308CHEMBL4440642DTXCID50608419DTXSID60657670GarcinoneC
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027351
Npass
NPC92032
Tcmid
8219
Pub Chem
44159808
Tcmbank
TCMBANKIN039429
Etcm Ingredient
Garcinone C
Itcmdb Generated
ITX-INGREDIENT-32EBFADEE024
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H26O7/c1-11(2)5-6-12-14(24)9-17-19(21(12)27)22(28)18-13(7-8-23(3,4)29)20(26)15(25)10-16(18)30-17/h5,9-10,24-27,29H,6-8H2,1-4H3
Mol Wt
414.4540000000002
Mol Log P
3.980800000000004
In Ch Ikey
HLOCLVMUASBDDP-UHFFFAOYSA-N
Tcm Name
藤黄
Tcm Name2
TENG HUANG
Mol2 Path
/TCM_database/2007_3d_all/08220.mol2
Reference
1619
Num Hdonors
5
Tcm Name En
Gamboge Tree Resin
Drug Likeness
0.242
Num Hacceptors
7
Isomeric Smiles
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CCC(C)(C)O)O)C
Canonical Smiles
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CCC(C)(C)O)O)C
Herb Alias Names
76996-27-51,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-enyl)xanthen-9-one1,3,6,7-TETRAHYDROXY-8-(3-HYDROXY-3-METHYLBUTYL)-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONECHEMBL4440642DTXSID60657670GarcinoneCGarcinone-CDTXCID50608419CHEBI:175308
Molecular Weight
414.170
Molecular Weight
414.4 g/mol
Molecular Formula
C23H26O7
Molecular Formula
C23H26O7
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.171
Quantitative Estimate Of Drug Likeness（Qed）
0.242