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
- 15466
- Core Entity Id
- 20358
- Source Entity Count
- 1
- Preferred Name
- Cryptoquinone
- Name En
- Pubchem Id
- 11243941
- Smiles Canonical
- CC(C)C1=CC(=O)C2=C(C1=O)C(=O)CC3C2(CCCC3(C)C)C
- Molecular Formula
- C20H26O3
- Molecular Weight
- 314.4250
- Inchikey
- RHYFQBRFLJYSIH-YWZLYKJASA-N
- Inchi
- InChI=1S/C20H26O3/c1-11(2)12-9-14(22)17-16(18(12)23)13(21)10-15-19(3,4)7-6-8-20(15,17)5/h9,11,15H,6-8,10H2,1-5H3/t15-,20-/m0/s1
- Isomeric Smiles
- CC(C)C1=CC(=O)C2=C(C1=O)C(=O)C[C@@H]3[C@@]2(CCCC3(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.8226
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cryptoquinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cryptoquinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cryptoquinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cryptoquinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
日本柳杉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN LIU SHAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Cedar
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本柳杉RI BEN LIU SHANJapanese Cedar
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021794
Npass
NPC275493
Tcmid
4290
Pub Chem
11243941
Tcmbank
TCMBANKIN038913
Etcm Ingredient
Cryptoquinone
Itcmdb Generated
ITX-INGREDIENT-C4D5B8694C10
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H26O3/c1-11(2)12-9-14(22)17-16(18(12)23)13(21)10-15-19(3,4)7-6-8-20(15,17)5/h9,11,15H,6-8,10H2,1-5H3/t15-,20-/m0/s1
Mol Wt
314.425
Mol Log P
3.822600000000003
In Ch Ikey
RHYFQBRFLJYSIH-YWZLYKJASA-N
Tcm Name
日本柳杉
Tcm Name2
RI BEN LIU SHAN
Mol2 Path
/TCM_database/2007_3d_all/04291.mol2
Reference
2015
Num Hdonors
0
Tcm Name En
Japanese Cedar
Drug Likeness
0.546
Num Hacceptors
3
Isomeric Smiles
CC(C)C1=CC(=O)C2=C(C1=O)C(=O)C[C@@H]3[C@@]2(CCCC3(C)C)C
Canonical Smiles
CC(C)C1=CC(=O)C2=C(C1=O)C(=O)CC3C2(CCCC3(C)C)C
Molecular Weight
314.190
Molecular Weight
314.4 g/mol
Molecular Formula
C20H26O3
Molecular Formula
C20H26O3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.618
Quantitative Estimate Of Drug Likeness（Qed）
0.731