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
- 11431
- Core Entity Id
- 15873
- Source Entity Count
- 1
- Preferred Name
- Aritasone
- Name En
- Pubchem Id
- 11722355
- Smiles Canonical
- CC1(C2CC1C3=C(C2)OC4(CC3)C5CC(C5(C)C)CC4=O)C
- Molecular Formula
- C20H28O2
- Molecular Weight
- 300.4420
- Inchikey
- YZHBEINUZQDPPT-IQTBRZPXSA-N
- Inchi
- InChI=1S/C20H28O2/c1-18(2)11-7-14(18)13-5-6-20(22-15(13)8-11)16-9-12(10-17(20)21)19(16,3)4/h11-12,14,16H,5-10H2,1-4H3/t11-,12-,14+,16-,20-/m0/s1
- Isomeric Smiles
- CC1([C@H]2C[C@@H]1C3=C(C2)O[C@@]4(CC3)[C@H]5C[C@H](C5(C)C)CC4=O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.4908
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6590
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aritasone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Aritasone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Aritasone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
aritasone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cedronellone
Role
alias
Source
HERB_v2
Preferred
No
Name
Cedronellone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Cedronellone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016842
Npass
NPC39107
Tcmid
1731
Pub Chem
11722355
Tcmbank
TCMBANKIN035976
Etcm Ingredient
Aritasone
Itcmdb Generated
ITX-INGREDIENT-C740F35F1BF4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O2/c1-18(2)11-7-14(18)13-5-6-20(22-15(13)8-11)16-9-12(10-17(20)21)19(16,3)4/h11-12,14,16H,5-10H2,1-4H3/t11-,12-,14+,16-,20-/m0/s1
Mol Wt
300.442
Smiles
CC1(C2CC1C3=C(C2)OC4(CC3)C5CC(C5(C)C)CC4=O)C
Mol Log P
4.490800000000004
In Ch Ikey
YZHBEINUZQDPPT-IQTBRZPXSA-N
Num Hdonors
0
Drug Likeness
0.659
Num Hacceptors
2
Isomeric Smiles
CC1([C@H]2C[C@@H]1C3=C(C2)O[C@@]4(CC3)[C@H]5C[C@H](C5(C)C)CC4=O)C
Canonical Smiles
CC1(C2CC1C3=C(C2)OC4(CC3)C5CC(C5(C)C)CC4=O)C
Herb Alias Names
Cedronellone
Molecular Weight
300.210
Molecular Formula
C20H28O2
Molecular Formula
C20H28O2
Molecular Formula
C20H28O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.989
Quantitative Estimate Of Drug Likeness（Qed）
0.659