Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10693
- Core Entity Id
- 15047
- Source Entity Count
- 1
- Preferred Name
- Ananixanthone
- Name En
- Pubchem Id
- 493305
- Smiles Canonical
- CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C(=CC=C4)O)C=CC(O2)(C)C)C
- Molecular Formula
- C23H22O5
- Molecular Weight
- 378.4240
- Inchikey
- WPZXDFBXPYQMFK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H22O5/c1-12(2)8-9-14-19(26)17-18(25)13-6-5-7-16(24)21(13)27-22(17)15-10-11-23(3,4)28-20(14)15/h5-8,10-11,24,26H,9H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C(=CC=C4)O)C=CC(O2)(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.0503
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ananixanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ananixanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ananixanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
喀麦隆辛佛尼阿*
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KA MAI LONG XIN FO NI A
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cameroon Symphonia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
216776-01-1
Role
alias
Source
HERB_v2
Preferred
No
Name
216776-01-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
3H,7H-Pyrano[2,3-c]xanthen-7-one, 6,11-dihydroxy-3,3-dimethyl-5-(3-methyl-2-butenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3H,7H-Pyrano[2,3-c]xanthen-7-one, 6,11-dihydroxy-3,3-dimethyl-5-(3-methyl-2-butenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,11-Dihydroxy-3,3-dimethyl-5-(3-methylbut-2-en-1-yl)pyrano[2,3-c]xanthen-7(3H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,11-Dihydroxy-3,3-dimethyl-5-(3-methylbut-2-en-1-yl)pyrano[2,3-c]xanthen-7(3H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL460547
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL460547
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
喀麦隆辛佛尼阿*KA MAI LONG XIN FO NI ACameroon Symphonia*216776-01-13H,7H-Pyrano[2,3-c]xanthen-7-one, 6,11-dihydroxy-3,3-dimethyl-5-(3-methyl-2-butenyl)-6,11-Dihydroxy-3,3-dimethyl-5-(3-methylbut-2-en-1-yl)pyrano[2,3-c]xanthen-7(3H)-one6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-oneCHEMBL460547
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015976
Npass
NPC14709
Tcmid
1135
Pub Chem
493305
Tcmbank
TCMBANKIN048154
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H22O5/c1-12(2)8-9-14-19(26)17-18(25)13-6-5-7-16(24)21(13)27-22(17)15-10-11-23(3,4)28-20(14)15/h5-8,10-11,24,26H,9H2,1-4H3
Mol Wt
378.4240000000001
Mol Log P
5.050300000000004
In Ch Ikey
WPZXDFBXPYQMFK-UHFFFAOYSA-N
Tcm Name
喀麦隆辛佛尼阿*
Tcm Name2
KA MAI LONG XIN FO NI A
Mol2 Path
/TCM_database/2007_3d_all/01135.mol2
Reference
1521, 4735
Num Hdonors
2
Tcm Name En
Cameroon Symphonia*
Drug Likeness
0.482
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C(=CC=C4)O)C=CC(O2)(C)C)C
Canonical Smiles
CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C(=CC=C4)O)C=CC(O2)(C)C)C
Herb Alias Names
CHEMBL4605476,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one3H,7H-Pyrano[2,3-c]xanthen-7-one, 6,11-dihydroxy-3,3-dimethyl-5-(3-methyl-2-butenyl)-6,11-Dihydroxy-3,3-dimethyl-5-(3-methylbut-2-en-1-yl)pyrano[2,3-c]xanthen-7(3H)-one216776-01-1
Molecular Weight
378.4 g/mol
Molecular Formula
C23H22O5
Num Rotatable Bonds
2