Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15913
- Core Entity Id
- 20855
- Source Entity Count
- 1
- Preferred Name
- Cyclopiloselloidone
- Name En
- Pubchem Id
- 5316266
- Smiles Canonical
- CC(C)CC(=O)C1=CC(=CC2=C1OC(C=C2)(C)C)C(=O)C
- Molecular Formula
- C18H22O3
- Molecular Weight
- 286.3710
- Inchikey
- DUPPHCJMEGRLRP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H22O3/c1-11(2)8-16(20)15-10-14(12(3)19)9-13-6-7-18(4,5)21-17(13)15/h6-7,9-11H,8H2,1-5H3
- Isomeric Smiles
- CC(C)CC(=O)C1=CC(=CC2=C1OC(C=C2)(C)C)C(=O)C
- Cas Id
- 54963-37-0
- Ob Score
- Mol Logp
- 4.3022
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cyclopiloselloidone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cyclopiloselloidone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cyclopiloselloidone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cyclopiloselloidone
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
54963-37-0
Herb
HBIN022348
Npass
NPC311832
Tcmid
4529
Tcm Id
4777
Pub Chem
5316266
Tcmbank
TCMBANKIN025277
Etcm Ingredient
Cyclopiloselloidone
Itcmdb Generated
ITX-INGREDIENT-CD11DC33CFDB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H22O3/c1-11(2)8-16(20)15-10-14(12(3)19)9-13-6-7-18(4,5)21-17(13)15/h6-7,9-11H,8H2,1-5H3
Mol Wt
286.371
Cas Id
54963-37-0
Smiles
CC(C)CC(=O)C1=CC(=CC2=C1OC(C=C2)(C)C)C(=O)C
Mol Log P
4.302200000000004
In Ch Ikey
DUPPHCJMEGRLRP-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.775
Num Hacceptors
3
Isomeric Smiles
CC(C)CC(=O)C1=CC(=CC2=C1OC(C=C2)(C)C)C(=O)C
Canonical Smiles
CC(C)CC(=O)C1=CC(=CC2=C1OC(C=C2)(C)C)C(=O)C
Molecular Weight
286.160
Molecular Weight
286.37
Molecular Formula
C18H22O3
Molecular Formula
C18H22O3
Molecular Formula
C18H22O3
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.373
Quantitative Estimate Of Drug Likeness（Qed）
0.775