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
- 31843
- Core Entity Id
- 38585
- Source Entity Count
- 1
- Preferred Name
- Rhinacanthin a
- Name En
- Pubchem Id
- 44245542
- Smiles Canonical
- CC1(C(CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)O)C
- Molecular Formula
- C15H14O4
- Molecular Weight
- 258.2730
- Inchikey
- ZWWVIPQQWSJFHS-LLVKDONJSA-N
- Inchi
- InChI=1S/C15H14O4/c1-15(2)11(16)7-10-12(17)8-5-3-4-6-9(8)13(18)14(10)19-15/h3-6,11,16H,7H2,1-2H3/t11-/m1/s1
- Isomeric Smiles
- CC1([C@@H](CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.8795
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rhinacanthin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Rhinacanthin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Rhinacanthin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
rhinacanthin a
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042216
Npass
NPC196188
Tcmid
18753
Pub Chem
44245542
Tcmbank
TCMBANKIN041145
Etcm Ingredient
Rhinacanthin A
Itcmdb Generated
ITX-INGREDIENT-F309A88EDF23
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H14O4/c1-15(2)11(16)7-10-12(17)8-5-3-4-6-9(8)13(18)14(10)19-15/h3-6,11,16H,7H2,1-2H3/t11-/m1/s1
Mol Wt
258.273
Smiles
CC1(C(CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)O)C
Mol Log P
1.8795
In Ch Ikey
ZWWVIPQQWSJFHS-LLVKDONJSA-N
Mol2 Path
/TCM_database/2007_3d_all/18768.mol2
Reference
660, 1555
Num Hdonors
1
Drug Likeness
0.771
Num Hacceptors
4
Isomeric Smiles
CC1([C@@H](CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)O)C
Canonical Smiles
CC1(C(CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)O)C
Molecular Weight
258.090
Molecular Weight
258.27 g/mol
Molecular Formula
C15H14O4
Molecular Formula
C15H14O4
Molecular Formula
C15H14O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.090
Quantitative Estimate Of Drug Likeness（Qed）
0.713