Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24319
- Core Entity Id
- 30219
- Source Entity Count
- 1
- Preferred Name
- Lecanoric acid
- Name En
- Pubchem Id
- 99613
- Smiles Canonical
- CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)O
- Molecular Formula
- C16H14O7
- Molecular Weight
- 318.2810
- Inchikey
- HEMSJKZDHNSSEW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21)
- Isomeric Smiles
- CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3376
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lecanoric acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lecanoric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lecanoric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
梅衣
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MEI YI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tinctorial Parmelia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
480-56-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
480-56-8
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 2172778
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 2172778
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:15871
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:15871
Role
alias
Source
itcmdb_public
Preferred
No
Name
D0M65TKS0F
Role
alias
Source
itcmdb_public
Preferred
No
Name
D0M65TKS0F
Role
alias
Source
HERB_v2
Preferred
No
Name
Lecanoricacid
Role
alias
Source
HERB_v2
Preferred
No
Name
Lecanoricacid
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 249981
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 249981
Role
alias
Source
itcmdb_public
Preferred
No
Name
Orsellinate depside
Role
alias
Source
HERB_v2
Preferred
No
Name
Orsellinate depside
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-D0M65TKS0F
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-D0M65TKS0F
Role
alias
Source
itcmdb_public
Preferred
No
Name
lecanoricacid
Role
alias
Source
TCMBank
Preferred
No
Name
o-orsellinate depside
Role
alias
Source
itcmdb_public
Preferred
No
Name
o-orsellinate depside
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
梅衣MEI YITinctorial Parmelia*480-56-8BRN 2172778CHEBI:15871D0M65TKS0FLecanoricacidNSC 249981Orsellinate depsideUNII-D0M65TKS0Fo-orsellinate depside
Cross References
Trusted external identifiers retained for this final record.
Hit
C0176
Herb
HBIN032832
Npass
NPC105648
Tcmid
1259333795
Pub Chem
99613
Tcmbank
TCMBANKIN040529
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21)
Mol Wt
318.2809999999999
Mol Log P
2.337640000000002
In Ch Ikey
HEMSJKZDHNSSEW-UHFFFAOYSA-N
Tcm Name
梅衣
Tcm Name2
MEI YI
Mol2 Path
/TCM_database/2007_3d_all/12598.mol2
Reference
660
Num Hdonors
4
Tcm Name En
Tinctorial Parmelia*
Drug Likeness
0.505
Num Hacceptors
6
Isomeric Smiles
CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)O
Canonical Smiles
CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)O
Herb Alias Names
480-56-8Lecanoricacido-orsellinate depsideOrsellinate depsideD0M65TKS0FNSC 249981BRN 2172778CHEBI:15871UNII-D0M65TKS0F
Molecular Weight
318.28 g/mol
Molecular Formula
C16H14O7
Num Rotatable Bonds
3