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
- 37988
- Core Entity Id
- 60898
- Source Entity Count
- 1
- Preferred Name
- 12b-hydroxy-des-d-ring-garcigerrin a
- Name En
- Pubchem Id
- 364825
- Smiles Canonical
- CC(C)(C=C)C1=CC(=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)O
- Molecular Formula
- C18H16O5
- Molecular Weight
- 312.3210
- Inchikey
- ZLVHCWPTRLJYOL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O5/c1-4-18(2,3)10-8-12(20)17-13(15(10)22)14(21)9-6-5-7-11(19)16(9)23-17/h4-8,19-20,22H,1H2,2-3H3
- Isomeric Smiles
- CC(C)(C=C)C1=CC(=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.5266
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
12b-Hydroxy-des-D-ring-garcigerrin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
12b-Hydroxy-des-D-ring-garcigerrin A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
12b-hydroxy-des-d-ring-garcigerrin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
12b-hydroxy-des-d-ring-garcigerrin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Garcinia vilersiana (Clusiaceae)
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
124676-46-6
Role
alias
Source
HERB_v2
Preferred
No
Name
124676-46-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(1,1-Dimethyl-2-propenyl)-1,4,5-trihydroxy-9H-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(1,1-Dimethyl-2-propenyl)-1,4,5-trihydroxy-9H-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(1,1-dimethylallyl)-1,4,5-trihydroxy-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(1,1-dimethylallyl)-1,4,5-trihydroxy-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4097066
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4097066
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20327100
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20327100
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC631584
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC631584
Role
alias
Source
itcmdb_public
Preferred
No
Name
des-D-Garcigerrin A, 12b-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
des-D-Garcigerrin A, 12b-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Garcinia vilersiana (Clusiaceae)124676-46-62-(1,1-Dimethyl-2-propenyl)-1,4,5-trihydroxy-9H-xanthen-9-one2-(1,1-dimethylallyl)-1,4,5-trihydroxy-xanthen-9-oneCHEMBL4097066DTXSID20327100NSC631584des-D-Garcigerrin A, 12b-hydroxy-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000762
Npass
NPC205772
Tcmid
9993
Pub Chem
364825
Tcmbank
TCMBANKIN047709
Etcm Ingredient
12b-Hydroxy-des-D-ring-garcigerrin A
Itcmdb Generated
ITX-INGREDIENT-14091B6E9C39
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H16O5/c1-4-18(2,3)10-8-12(20)17-13(15(10)22)14(21)9-6-5-7-11(19)16(9)23-17/h4-8,19-20,22H,1H2,2-3H3
Mol Wt
312.321
Mol Log P
3.526600000000003
In Ch Ikey
ZLVHCWPTRLJYOL-UHFFFAOYSA-N
Tcm Name2
Garcinia vilersiana (Clusiaceae)
Mol2 Path
/TCM_database/2007_3d_all/09994.mol2
Reference
3473, 3902
Num Hdonors
3
Drug Likeness
0.382
Num Hacceptors
5
Isomeric Smiles
CC(C)(C=C)C1=CC(=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)O
Canonical Smiles
CC(C)(C=C)C1=CC(=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)O
Herb Alias Names
NSC631584des-D-Garcigerrin A, 12b-hydroxy-124676-46-62-(1,1-Dimethyl-2-propenyl)-1,4,5-trihydroxy-9H-xanthen-9-oneCHEMBL4097066DTXSID20327100NSC-6315842-(1,1-dimethylallyl)-1,4,5-trihydroxy-xanthen-9-one
Molecular Weight
312.100
Molecular Formula
C18H16O5
Molecular Formula
C18H16O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.296
Quantitative Estimate Of Drug Likeness（Qed）
0.382