Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31849
- Core Entity Id
- 38591
- Source Entity Count
- 1
- Preferred Name
- Rhinacanthin i
- Name En
- Pubchem Id
- 10764908
- Smiles Canonical
- CC(C(=C)CCC=C(C)C(=O)OCC(C)(C)CC1=C(C2=CC=CC=C2C(=O)C1=O)O)O
- Molecular Formula
- C25H30O6
- Molecular Weight
- 426.5090
- Inchikey
- WSQAPTBHFZVTMV-MHWRWJLKSA-N
- Inchi
- InChI=1S/C25H30O6/c1-15(17(3)26)9-8-10-16(2)24(30)31-14-25(4,5)13-20-21(27)18-11-6-7-12-19(18)22(28)23(20)29/h6-7,10-12,17,26-27H,1,8-9,13-14H2,2-5H3/b16-10+
- 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
- Cas Id
- Ob Score
- Mol Logp
- 4.3441
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.2640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rhinacanthin I
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Rhinacanthin I
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Rhinacanthin i
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Rhinacanthin i
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
HBIN042222
Tcmid
18759
Pub Chem
10764908
Tcmbank
TCMBANKIN047344
Etcm Ingredient
Rhinacanthin I
Itcmdb Generated
ITX-INGREDIENT-212585DCF8CE
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H30O6/c1-15(17(3)26)9-8-10-16(2)24(30)31-14-25(4,5)13-20-21(27)18-11-6-7-12-19(18)22(28)23(20)29/h6-7,10-12,17,26-27H,1,8-9,13-14H2,2-5H3/b16-10+
Mol Wt
426.5090000000001
Mol Log P
4.344100000000004
In Ch Ikey
WSQAPTBHFZVTMV-MHWRWJLKSA-N
Tcm Name
白鹤灵芝
Tcm Name2
BAI HE LING ZHI
Mol2 Path
/TCM_database/2007_3d_all/18774.mol2
Reference
1555
Num Hdonors
2
Tcm Name En
Bignose Rhiancanthus
Drug Likeness
0.264
Num Hacceptors
6
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
Canonical Smiles
CC(C(=C)CCC=C(C)C(=O)OCC(C)(C)CC1=C(C2=CC=CC=C2C(=O)C1=O)O)O
Molecular Weight
426.200
Molecular Weight
426.5 g/mol
Molecular Formula
C25H30O6
Molecular Formula
C25H30O6
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.135
Quantitative Estimate Of Drug Likeness（Qed）
0.280