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
- 22175
- Core Entity Id
- 27831
- Source Entity Count
- 1
- Preferred Name
- Inoxanthone
- Name En
- Pubchem Id
- 11703574
- Smiles Canonical
- CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC4=C(C3=O)C=CC=C4O)O)C
- Molecular Formula
- C23H22O5
- Molecular Weight
- 378.4240
- Inchikey
- VCRGQEOJJJBBNZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H22O5/c1-6-22(2,3)16-20-13(10-11-23(4,5)28-20)18(26)15-17(25)12-8-7-9-14(24)19(12)27-21(15)16/h6-11,24,26H,1H2,2-5H3
- Isomeric Smiles
- CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC4=C(C3=O)C=CC=C4O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.0052
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Inoxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Inoxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Inoxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
海棠果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HAI TANG GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Kalofilum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
155566-36-2
Role
alias
Source
HERB_v2
Preferred
No
Name
155566-36-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,10-dihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,10-dihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,10-dihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,10-dihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65511
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65511
Role
alias
Source
HERB_v2
Preferred
No
Name
GLXC-25151
Role
alias
Source
HERB_v2
Preferred
No
Name
GLXC-25151
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27133955
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27133955
Role
alias
Source
HERB_v2
Preferred
No
Name
blancoxanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
blancoxanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
linixanthone a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
台湾绿岛藤黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI WAN LV DAO TENG HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lanyu Garcinia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
海棠果HAI TANG GUOKalofilum155566-36-25,10-dihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one5,10-dihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-oneCHEBI:65511GLXC-25151Q27133955blancoxanthonelinixanthone a台湾绿岛藤黄TAI WAN LV DAO TENG HUANGLanyu Garcinia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030193HBIN033326
Npass
NPC172234
Tcmid
1108312880
Pub Chem
11703574
Tcmbank
TCMBANKIN039615TCMBANKIN024109TCMBANKIN059483
Itcmdb Generated
ITX-INGREDIENT-210247D47688ITX-INGREDIENT-752163B84B13
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H22O5/c1-6-22(2,3)16-20-13(10-11-23(4,5)28-20)18(26)15-17(25)12-8-7-9-14(24)19(12)27-21(15)16/h6-11,24,26H,1H2,2-5H3
Mol Wt
378.4240000000001
Smiles
CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC4=C(C3=O)C=CC=C4O)O)C
Mol Log P
5.005200000000005
In Ch Ikey
VCRGQEOJJJBBNZ-UHFFFAOYSA-N
Tcm Name
海棠果
Tcm Name2
HAI TANG GUO
Mol2 Path
/TCM_database/2007_3d_all/11086.mol2
Reference
3866, 4441
Num Hdonors
2
Tcm Name En
Kalofilum
Drug Likeness
0.484
Num Hacceptors
5
Isomeric Smiles
CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC4=C(C3=O)C=CC=C4O)O)C
Canonical Smiles
CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC4=C(C3=O)C=CC=C4O)O)C
Herb Alias Names
blancoxanthoneCHEBI:65511155566-36-25,10-dihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one5,10-dihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one5,10-dihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano(3,2-b)xanthen-6-one5,10-dihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)-2H,6H-pyrano(3,2-b)xanthen-6-oneGLXC-25151Q27133955
Molecular Weight
378.4 g/mol
Molecular Formula
C23H22O5
Molecular Formula
C23H22O5
Num Rotatable Bonds
2