Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10548
- Core Entity Id
- 14886
- Source Entity Count
- 1
- Preferred Name
- Alvaxanthone
- Name En
- Pubchem Id
- 12305823
- Smiles Canonical
- CC(=CCC1=CC(=C(C2=C1C(=O)C3=C(O2)C=C(C(=C3O)C(C)(C)C=C)O)O)O)C
- Molecular Formula
- C23H24O6
- Molecular Weight
- 396.4390
- Inchikey
- IXUNODGMZUQIQP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H24O6/c1-6-23(4,5)18-13(24)10-15-17(21(18)28)20(27)16-12(8-7-11(2)3)9-14(25)19(26)22(16)29-15/h6-7,9-10,24-26,28H,1,8H2,2-5H3
- Isomeric Smiles
- CC(=CCC1=CC(=C(C2=C1C(=O)C3=C(O2)C=C(C(=C3O)C(C)(C)C=C)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.7409
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alvaxanthone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Alvaxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Alvaxanthone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Alvaxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Alvaxanthone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
alvaxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3,5,6-tetrahydroxy-2-(2-methylbut-3-en-2-yl)-8-(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,5,6-tetrahydroxy-2-(2-methylbut-3-en-2-yl)-8-(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1641-05-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
1641-05-0
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL478937
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL478937
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3,5,6-tetrahydroxy-2-(2-methylbut-3-en-2-yl)-8-(3-methylbut-2-enyl)xanthen-9-one1641-05-0CHEMBL478937
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015801
Npass
NPC235448
Tcmid
1010
Sym Map
SMIT22313
Pub Chem
12305823
Tcmbank
TCMBANKIN044827
Etcm Ingredient
Alvaxanthone
Itcmdb Generated
ITX-INGREDIENT-2F371CA6A075ITX-INGREDIENT-61DF5A7AF747
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C23H24O6/c1-6-23(4,5)18-13(24)10-15-17(21(18)28)20(27)16-12(8-7-11(2)3)9-14(25)19(26)22(16)29-15/h6-7,9-10,24-26,28H,1,8H2,2-5H3
Mol Wt
396.4390000000001
Smiles
CC(=CCC1=CC(=C(C2=C1C(=O)C3=C(O2)C=C(C(=C3O)C(C)(C)C=C)O)O)O)C
Mol Log P
4.740900000000006
Version
v2
In Ch Ikey
IXUNODGMZUQIQP-UHFFFAOYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/01010.mol2
Reference
3025
Num Hdonors
4
Drug Likeness
0.288
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=CC(=C(C2=C1C(=O)C3=C(O2)C=C(C(=C3O)C(C)(C)C=C)O)O)O)C
Canonical Smiles
CC(=CCC1=CC(=C(C2=C1C(=O)C3=C(O2)C=C(C(=C3O)C(C)(C)C=C)O)O)O)C
Herb Alias Names
CHEMBL4789371,3,5,6-tetrahydroxy-2-(2-methylbut-3-en-2-yl)-8-(3-methylbut-2-enyl)xanthen-9-one1641-05-0
Molecular Weight
396.160
Molecular Weight
396.4 g/mol
Molecular Formula
C23H24O6
Molecular Formula
C23H24O6
Molecular Formula
C23H24O6
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.909
Quantitative Estimate Of Drug Likeness（Qed）
0.461