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
- 63520
- Core Entity Id
- 110538
- Source Entity Count
- 1
- Preferred Name
- Dehydrotrametenolic Acid
- Name En
- Pubchem Id
- 15391340
- Smiles Canonical
- CC(=CCCC(C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O)C
- Molecular Formula
- C30H46O3
- Molecular Weight
- 454.3400
- Inchikey
- QFPLAAZRZNKRRY-GIICLEHTSA-N
- Inchi
- InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,14,20-21,24-25,31H,8,10,12-13,15-18H2,1-7H3,(H,32,33)/t20-,21-,24+,25+,28-,29-,30+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.2000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 57.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dehydrotrametenolic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dehydrotrametenolic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT23428
Etcm Ingredient
Dehydrotrametenolic acid
Itcmdb Generated
ITX-INGREDIENT-41A2B6019058ITX-INGREDIENT-FA153663EE7F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Molecular Weight
454.340
Molecular Formula
C30H46O3
Fda Maximum Daily Dose (Fdamdd)
0.932
Quantitative Estimate Of Drug Likeness（Qed）
0.428