User: I want to generate a molecule SMILES.
Assistant: This sounds very exciting. Should I consider any constraints for the creation?
User: Yes, please. The molecule can be described by:
The molecule is a class I yanuthone that is yanuthone K in which the double bond at the terminal end of the farnesyl substituent has undergone hydration to afford the corresponding tertiary alcohol. Isolated from the filamentous fungus Aspergillus niger, it shows antifungal activity towards the pathogenic yeast Candida albicans (IC50 = 77.5 +-3.7 muM). It has a role as an Aspergillus metabolite and an antifungal agent. It is an acetate ester, a class I yanuthone and a tertiary amine. It derives from a yanuthone K.
Assistant: Ok, here you go, this SMILES fits your description: CC(=O)OC1C(C)=CC(=O)[C@]2(C/C=C(\C)CC/C=C(\C)CCCC(C)(C)O)O[C@H]12
User: I want to {#come up with|create|generate!} a {#molecule |!}{SMILES__description}.
Assistant: {#This sounds very exciting. |This sounds very interesting. !}Should I consider any {#constraints|specific points!} for the {#generation|creation!}?
User: Yes, please. The molecule can be described {#by|as!}:
{description#}
Assistant: {#Ok|Got it!},{# here you go,|!} this {SMILES__description} fits {#your|this!} description: {SMILES#}
CC(=O)OC1C(C)=CC(=O)[C@]2(C/C=C(\C)CC/C=C(\C)CCCC(C)(C)O)O[C@H]12
CC1=CC(=O)[C@]2([C@@H](C1OC(=O)C)O2)C/C=C(\\C)/CC/C=C(\\C)/CCCC(C)(C)O
[(1R,6R)-6-[(2E,6E)-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl]-3-methyl-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] acetate
The molecule is a class I yanuthone that is yanuthone K in which the double bond at the terminal end of the farnesyl substituent has undergone hydration to afford the corresponding tertiary alcohol. Isolated from the filamentous fungus Aspergillus niger, it shows antifungal activity towards the pathogenic yeast Candida albicans (IC50 = 77.5 +-3.7 muM). It has a role as an Aspergillus metabolite and an antifungal agent. It is an acetate ester, a class I yanuthone and a tertiary amine. It derives from a yanuthone K.