Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68193
- Core Entity Id
- 130842
- Source Entity Count
- 1
- Preferred Name
- 3-O-(2'E,4'Z-decadienoyl)-20-deoxyingenol
- Name En
- Pubchem Id
- 101254244
- Smiles Canonical
- CCCCCC=CC=CC(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)C)O)O)C
- Molecular Formula
- C30H42O5
- Molecular Weight
- 482.3000
- Inchikey
- JZIBSDBSLIKLEM-SPXYNGGESA-N
- Inchi
- InChI=1S/C30H42O5/c1-7-8-9-10-11-12-13-14-23(31)35-27-19(3)17-29-20(4)16-22-24(28(22,5)6)21(26(29)33)15-18(2)25(32)30(27,29)34/h11-15,17,20-22,24-25,27,32,34H,7-10,16H2,1-6H3/b12-11-,14-13+/t20-,21+,22-,24+,25-,27+,29+,30+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.0000
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 83.8000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-O-(2'E,4'Z-decadienoyl)-20-deoxyingenol
Itcmdb Generated
ITX-INGREDIENT-1127614039BC
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
482.300
Molecular Formula
C30H42O5
Fda Maximum Daily Dose (Fdamdd)
0.954
Quantitative Estimate Of Drug Likeness（Qed）
0.229