Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66770
- Core Entity Id
- 129419
- Source Entity Count
- 1
- Preferred Name
- 1-oxocryptotanshinone
- Name En
- Pubchem Id
- 9995530
- Smiles Canonical
- CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C(=O)CCC4(C)C
- Molecular Formula
- C19H18O4
- Molecular Weight
- 310.1200
- Inchikey
- FUWBBIWGILZPAC-VIFPVBQESA-N
- Inchi
- InChI=1S/C19H18O4/c1-9-8-23-18-10-4-5-11-15(12(20)6-7-19(11,2)3)14(10)17(22)16(21)13(9)18/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.5000
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 60.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-oxocryptotanshinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-oxocryptotanshinone
Itcmdb Generated
ITX-INGREDIENT-26207C79D596
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
310.120
Molecular Formula
C19H18O4
Fda Maximum Daily Dose (Fdamdd)
0.246
Quantitative Estimate Of Drug Likeness（Qed）
0.597