Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66374
- Core Entity Id
- 129023
- Source Entity Count
- 1
- Preferred Name
- 12-deoxytanshinquinone B
- Name En
- Pubchem Id
- 15484930
- Smiles Canonical
- CC1=C2C=CC3=C(C2=CC=C1)C(=O)C=C(C3=O)C(C)C
- Molecular Formula
- C18H16O2
- Molecular Weight
- 264.1200
- Inchikey
- XFSVVSSHBNDWTE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O2/c1-10(2)15-9-16(19)17-13-6-4-5-11(3)12(13)7-8-14(17)18(15)20/h4-10H,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.2000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 34.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
12-deoxytanshinquinone B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
12-deoxytanshinquinone B
Itcmdb Generated
ITX-INGREDIENT-BC2833176648
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
264.120
Molecular Formula
C18H16O2
Fda Maximum Daily Dose (Fdamdd)
0.920
Quantitative Estimate Of Drug Likeness（Qed）
0.492