Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 5Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8835
- Core Entity Id
- 12987
- Source Entity Count
- 1
- Preferred Name
- 8-desoxygartanin
- Name En
- Pubchem Id
- 392450
- Smiles Canonical
- CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)CC=C(C)C)O)C
- Molecular Formula
- C23H24O5
- Molecular Weight
- 380.4400
- Inchikey
- GVQOVMKBYJKZSY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)CC=C(C)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.0804
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4340
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-Desoxygartanin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8-Desoxygartanin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-desoxygartanin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
8-desoxygartanin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
黑线条藤黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HEI XIAN TIAO TENG HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Nigroline Garcinia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,3,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)-9H-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)-9H-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,5-trihydroxy-2,4-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,5-trihydroxy-2,4-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
33390-41-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
33390-41-9
Role
alias
Source
HERB_v2
Preferred
No
Name
8-DEOXYGARTANIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-DEOXYGARTANIN
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Xanthen-9-one, 1,3,5-trihydroxy-2,4-bis(3-methyl-2-butenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Xanthen-9-one, 1,3,5-trihydroxy-2,4-bis(3-methyl-2-butenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL488606
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL488606
Role
alias
Source
HERB_v2
Preferred
No
Name
Deoxygartinin
Role
alias
Source
HERB_v2
Preferred
No
Name
Deoxygartinin
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC692944
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC692944
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黑线条藤黄HEI XIAN TIAO TENG HUANGNigroline Garcinia*1,3,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)-9H-xanthen-9-one1,3,5-trihydroxy-2,4-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one33390-41-98-DEOXYGARTANIN9H-Xanthen-9-one, 1,3,5-trihydroxy-2,4-bis(3-methyl-2-butenyl)-CHEMBL488606DeoxygartininNSC692944
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013708
Npass
NPC33051
Tcmid
5275
Pub Chem
392450
Tcmbank
TCMBANKIN037840
Etcm Ingredient
8-Desoxygartanin
Itcmdb Generated
ITX-INGREDIENT-3B7A46A7B729
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
Mol Wt
380.4400000000001
Mol Log P
5.080400000000004
In Ch Ikey
GVQOVMKBYJKZSY-UHFFFAOYSA-N
Tcm Name
黑线条藤黄
Tcm Name2
HEI XIAN TIAO TENG HUANG
Mol2 Path
/TCM_database/2007_3d_all/05276.mol2
Reference
1619, 3066, 4735, 5319, 5491
Num Hdonors
3
Tcm Name En
Nigroline Garcinia*
Drug Likeness
0.434
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)CC=C(C)C)O)C
Canonical Smiles
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)CC=C(C)C)O)C
Herb Alias Names
8-DEOXYGARTANIN33390-41-91,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one1,3,5-trihydroxy-2,4-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-oneCHEMBL4886061,3,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)-9H-xanthen-9-oneDeoxygartininNSC6929449H-Xanthen-9-one, 1,3,5-trihydroxy-2,4-bis(3-methyl-2-butenyl)-
Molecular Weight
380.160
Molecular Weight
380.4 g/mol
Molecular Formula
C23H24O5
Molecular Formula
C23H24O5
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.434