Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 11Ingredient: 1Target: 12Links: 23
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19995
- Core Entity Id
- 25403
- Source Entity Count
- 1
- Preferred Name
- Gentiacaulein
- Name En
- Pubchem Id
- 5281634
- Smiles Canonical
- COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)OC)O
- Molecular Formula
- C15H12O6
- Molecular Weight
- 288.2550
- Inchikey
- WYOSCUWDVFHQFY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3
- Isomeric Smiles
- COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)OC)O
- Cas Id
- 15402-27-4
- Ob Score
- 72.8165
- Mol Logp
- 2.3746
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Gentiacaulein
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gentiacaulein
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gentiacaulein
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gentiacaulein
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,7-dihydroxy-3,8-dimethoxyxanthone
Role
alias
Source
TCMBank
Preferred
No
Name
15402-27-4
Role
alias
Source
TCMBank
Preferred
No
Name
15402-27-4
Role
alias
Source
HERB_v2
Preferred
No
Name
15402-27-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-dimethoxyxanthone
Role
alias
Source
TCMBank
Preferred
No
Name
2,6-dimethoxyxanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-dimethoxyxanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,8-Dihydroxy-1,6-dimethoxy-9H-xanthen-9-one
Role
alias
Source
TCMBank
Preferred
No
Name
2,8-Dihydroxy-1,6-dimethoxy-9H-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2,8-Dihydroxy-1,6-dimethoxy-9H-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,8-Dihydroxy-1,6-dimethoxyxanthone
Role
alias
Source
TCMBank
Preferred
No
Name
2,8-dihydroxy-1,6-dimethoxy-9-xanthenone
Role
alias
Source
TCMBank
Preferred
No
Name
2,8-dihydroxy-1,6-dimethoxy-xanthen-9-one
Role
alias
Source
TCMBank
Preferred
No
Name
2,8-dihydroxy-1,6-dimethoxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,8-dihydroxy-1,6-dimethoxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2,8-dihydroxy-1,6-dimethoxyxanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,8-dihydroxy-1,6-dimethoxyxanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1NQYS1
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS142918
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM174835
Role
alias
Source
TCMBank
Preferred
No
Name
C10064
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:5313
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:5313
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:5313
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL467590
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID10415161
Role
alias
Source
TCMBank
Preferred
No
Name
Getiacaulein
Role
alias
Source
HERB_v2
Preferred
No
Name
Getiacaulein
Role
alias
Source
TCMBank
Preferred
No
Name
Getiacaulein
Role
alias
Source
itcmdb_public
Preferred
No
Name
HMS2227I16
Role
alias
Source
TCMBank
Preferred
No
Name
HMS3338N03
Role
alias
Source
TCMBank
Preferred
No
Name
MLS000563494
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000563494
Role
alias
Source
TCMBank
Preferred
No
Name
MLS000563494
Role
alias
Source
itcmdb_public
Preferred
No
Name
NP-008544
Role
alias
Source
TCMBank
Preferred
No
Name
NSC661743
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC661743
Role
alias
Source
TCMBank
Preferred
No
Name
NSC661743
Role
alias
Source
itcmdb_public
Preferred
No
Name
SMR000232301
Role
alias
Source
TCMBank
Preferred
No
Name
US9114126, 2027BA1
Role
alias
Source
TCMBank
Preferred
No
Name
gentiacaulein
Role
alias
Source
TCMBank
Preferred
No
Name
gentiacauleine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,7-dihydroxy-3,8-dimethoxyxanthone15402-27-42,6-dimethoxyxanthone2,8-Dihydroxy-1,6-dimethoxy-9H-xanthen-9-one2,8-Dihydroxy-1,6-dimethoxyxanthone2,8-dihydroxy-1,6-dimethoxy-9-xanthenone2,8-dihydroxy-1,6-dimethoxy-xanthen-9-one2,8-dihydroxy-1,6-dimethoxyxanthen-9-oneAC1NQYS1AIDS142918BDBM174835C10064CHEBI:5313CHEMBL467590DTXSID10415161GetiacauleinHMS2227I16HMS3338N03MLS000563494NP-008544NSC661743SMR000232301US9114126, 2027BA1gentiacauleine
Cross References
Trusted external identifiers retained for this final record.
Cas
15402-27-4
Herb
HBIN027488
Npass
NPC120537
Tcmid
310178289
Tcmsp
MOL005575
Sym Map
SMIT07314SMIT19201
Pub Chem
5281634
Tcmbank
TCMBANKIN061733
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3
Mol Wt
288.255
Cas Id
15402-27-4
Smiles
COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)OC)O
Mol Log P
2.374600000000001
Version
v1,v2
In Ch Ikey
WYOSCUWDVFHQFY-UHFFFAOYSA-N
Ob Score
72.81653372.8165334872.817
Suppress
1
Num Hdonors
2
Drug Likeness
0.704
Num Hacceptors
6
Isomeric Smiles
COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)OC)O
Molecule Weight
288.27
Canonical Smiles
COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)OC)O
Herb Alias Names
15402-27-42,6-dimethoxyxanthone2,8-dihydroxy-1,6-dimethoxyxanthoneGetiacaulein2,8-dihydroxy-1,6-dimethoxyxanthen-9-oneNSC661743MLS000563494CHEBI:53132,8-Dihydroxy-1,6-dimethoxy-9H-xanthen-9-one
Molecular Weight
288.25
Molecular Formula
C15H12O6
Molecular Formula
C15H12O6
Num Rotatable Bonds
2
Link Ingredient Id
7314.0