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
- 31847
- Core Entity Id
- 38589
- Source Entity Count
- 1
- Preferred Name
- Rhinacanthin g
- Name En
- Pubchem Id
- 162861781
- Smiles Canonical
- CC1C(O1)(C)CCC=C(C)C(=O)OCC(C)(C)CC2=C(C3=CC=CC=C3C(=O)C2=O)O
- Molecular Formula
- C25H30O6
- Molecular Weight
- 426.5090
- Inchikey
- SRFDLSOLKVVRSR-NHBAIXJCSA-N
- Inchi
- InChI=1S/C25H30O6/c1-15(9-8-12-25(5)16(2)31-25)23(29)30-14-24(3,4)13-19-20(26)17-10-6-7-11-18(17)21(27)22(19)28/h6-7,9-11,16,26H,8,12-14H2,1-5H3/b15-9+/t16-,25+/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@](O1)(C)CC/C=C(\C)/C(=O)OCC(C)(C)CC2=C(C3=CC=CC=C3C(=O)C2=O)O
- Cas Id
- Ob Score
- Mol Logp
- 4.5845
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.2830
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rhinacanthin G
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Rhinacanthin g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rhinacanthin g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
rhinacanthin g
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Rhinacanthin G
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Rhinacanthin G
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Rhinacanthin G
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042220
Tcmid
18757
Pub Chem
162861781
Tcmbank
TCMBANKIN041229
Etcm Ingredient
Rhinacanthin G
Itcmdb Generated
ITX-INGREDIENT-AD5D9C0FB4D7
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H30O6/c1-15(9-8-12-25(5)16(2)31-25)23(29)30-14-24(3,4)13-19-20(26)17-10-6-7-11-18(17)21(27)22(19)28/h6-7,9-11,16,26H,8,12-14H2,1-5H3/b15-9+/t16-,25+/m0/s1
Mol Wt
426.5090000000001
Mol Log P
4.584500000000004
In Ch Ikey
SRFDLSOLKVVRSR-NHBAIXJCSA-N
Mol2 Path
/TCM_database/2007_3d_all/18772.mol2
Reference
1555
Num Hdonors
1
Drug Likeness
0.283
Num Hacceptors
6
Isomeric Smiles
C[C@H]1[C@@](O1)(C)CC/C=C(\C)/C(=O)OCC(C)(C)CC2=C(C3=CC=CC=C3C(=O)C2=O)O
Canonical Smiles
CC1C(O1)(C)CCC=C(C)C(=O)OCC(C)(C)CC2=C(C3=CC=CC=C3C(=O)C2=O)O
Herb Alias Names
(-)-Rhinacanthin G
Molecular Weight
426.200
Molecular Formula
C25H30O6
Molecular Formula
C25H30O6
Molecular Formula
C25H30O6
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.862
Quantitative Estimate Of Drug Likeness（Qed）
0.204