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
- 31851
- Core Entity Id
- 38594
- Source Entity Count
- 1
- Preferred Name
- Rhinacanthin m
- Name En
- Pubchem Id
- 10808757
- Smiles Canonical
- CC(C)(CC1=C(C2=CC=CC=C2C(=O)C1=O)O)COC(=O)C3=CC=CC=C3
- Molecular Formula
- C22H20O5
- Molecular Weight
- 364.3970
- Inchikey
- IEHVESOICXKEAC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H20O5/c1-22(2,13-27-21(26)14-8-4-3-5-9-14)12-17-18(23)15-10-6-7-11-16(15)19(24)20(17)25/h3-11,23H,12-13H2,1-2H3
- Isomeric Smiles
- CC(C)(CC1=C(C2=CC=CC=C2C(=O)C1=O)O)COC(=O)C3=CC=CC=C3
- Cas Id
- Ob Score
- Mol Logp
- 3.9944
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rhinacanthin M
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Rhinacanthin M
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Rhinacanthin m
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Rhinacanthin m
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
白鹤灵芝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAI HE LING ZHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Bignose Rhiancanthus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,4-Naphthalenedione, 2-[3-(benzoyloxy)-2,2-dimethylpropyl]-3-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-Naphthalenedione, 2-[3-(benzoyloxy)-2,2-dimethylpropyl]-3-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
205653-95-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
205653-95-8
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoic acid 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-2,2-dimethyl-propyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoic acid 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-2,2-dimethyl-propyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL188174
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL188174
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20445237
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20445237
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
白鹤灵芝BAI HE LING ZHIBignose Rhiancanthus1,4-Naphthalenedione, 2-[3-(benzoyloxy)-2,2-dimethylpropyl]-3-hydroxy-205653-95-8Benzoic acid 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-2,2-dimethyl-propyl esterCHEMBL188174DTXSID20445237
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042224
Tcmid
18761
Pub Chem
10808757
Tcmbank
TCMBANKIN040449
Etcm Ingredient
Rhinacanthin M
Itcmdb Generated
ITX-INGREDIENT-0EDA8B0D0BCA
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H20O5/c1-22(2,13-27-21(26)14-8-4-3-5-9-14)12-17-18(23)15-10-6-7-11-16(15)19(24)20(17)25/h3-11,23H,12-13H2,1-2H3
Mol Wt
364.397
Mol Log P
3.994400000000002
In Ch Ikey
IEHVESOICXKEAC-UHFFFAOYSA-N
Tcm Name
白鹤灵芝
Tcm Name2
BAI HE LING ZHI
Mol2 Path
/TCM_database/2007_3d_all/18776.mol2
Reference
1555
Num Hdonors
1
Tcm Name En
Bignose Rhiancanthus
Drug Likeness
0.641
Num Hacceptors
5
Isomeric Smiles
CC(C)(CC1=C(C2=CC=CC=C2C(=O)C1=O)O)COC(=O)C3=CC=CC=C3
Canonical Smiles
CC(C)(CC1=C(C2=CC=CC=C2C(=O)C1=O)O)COC(=O)C3=CC=CC=C3
Herb Alias Names
205653-95-81,4-Naphthalenedione, 2-[3-(benzoyloxy)-2,2-dimethylpropyl]-3-hydroxy-CHEMBL188174DTXSID20445237Benzoic acid 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-2,2-dimethyl-propyl ester
Molecular Weight
364.130
Molecular Weight
364.4 g/mol
Molecular Formula
C22H20O5
Molecular Formula
C22H20O5
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.038
Quantitative Estimate Of Drug Likeness（Qed）
0.461