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: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31850
- Core Entity Id
- 38593
- Source Entity Count
- 1
- Preferred Name
- Rhinacanthin k
- Name En
- Pubchem Id
- 10765714
- Smiles Canonical
- CC(C(C)(CCC=C(C)C(=O)OCC(C)(C)CC1=C(C2=CC=CC=C2C(=O)C1=O)O)O)O
- Molecular Formula
- C25H32O7
- Molecular Weight
- 444.5240
- Inchikey
- XVWTTYRIYXHBGO-OQLLNIDSSA-N
- Inchi
- InChI=1S/C25H32O7/c1-15(9-8-12-25(5,31)16(2)26)23(30)32-14-24(3,4)13-19-20(27)17-10-6-7-11-18(17)21(28)22(19)29/h6-7,9-11,16,26-27,31H,8,12-14H2,1-5H3/b15-9+
- Isomeric Smiles
- CC(C(C)(CC/C=C(\C)/C(=O)OCC(C)(C)CC1=C(C2=CC=CC=C2C(=O)C1=O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.5389
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.3030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rhinacanthin K
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Rhinacanthin K
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Rhinacanthin k
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Rhinacanthin k
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
Aliases
Additional names normalized into the restored final schema.
白鹤灵芝BAI HE LING ZHIBignose Rhiancanthus
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042223
Tcmid
18760
Pub Chem
10765714
Tcmbank
TCMBANKIN047110
Etcm Ingredient
Rhinacanthin K
Itcmdb Generated
ITX-INGREDIENT-34A4F8DEEEBD
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H32O7/c1-15(9-8-12-25(5,31)16(2)26)23(30)32-14-24(3,4)13-19-20(27)17-10-6-7-11-18(17)21(28)22(19)29/h6-7,9-11,16,26-27,31H,8,12-14H2,1-5H3/b15-9+
Mol Wt
444.5240000000001
Mol Log P
3.538900000000003
In Ch Ikey
XVWTTYRIYXHBGO-OQLLNIDSSA-N
Tcm Name
白鹤灵芝
Tcm Name2
BAI HE LING ZHI
Mol2 Path
/TCM_database/2007_3d_all/18775.mol2
Reference
1555
Num Hdonors
3
Tcm Name En
Bignose Rhiancanthus
Drug Likeness
0.303
Num Hacceptors
7
Isomeric Smiles
CC(C(C)(CC/C=C(\C)/C(=O)OCC(C)(C)CC1=C(C2=CC=CC=C2C(=O)C1=O)O)O)O
Canonical Smiles
CC(C(C)(CCC=C(C)C(=O)OCC(C)(C)CC1=C(C2=CC=CC=C2C(=O)C1=O)O)O)O
Molecular Weight
444.210
Molecular Weight
444.5 g/mol
Molecular Formula
C25H32O7
Molecular Formula
C25H32O7
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.495
Quantitative Estimate Of Drug Likeness（Qed）
0.260